2017-08-27 21:34:58 UTC

author: Repository QA checks <repo-qa-checks@gentoo.org> 2017-08-27 21:35:01 +0000
committer: Repository QA checks <repo-qa-checks@gentoo.org> 2017-08-27 21:35:01 +0000
commit: c715726ae20b3483a02340521364e0452e6a200d (patch)
tree: 65283544590ba8707f91702a04b0dacbd0b06cdd /metadata/md5-cache/sci-chemistry
parent: Merge updates from master (diff)
download: gentoo-c715726ae20b3483a02340521364e0452e6a200d.tar.gz
gentoo-c715726ae20b3483a02340521364e0452e6a200d.tar.bz2
gentoo-c715726ae20b3483a02340521364e0452e6a200d.zip
167 files changed, 2327 insertions, 0 deletions
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.1 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.1
new file mode 100644
index 000000000000..c5c6280ca303
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare test unpack
+DEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=Python framework for Gromacs
+EAPI=5
+HOMEPAGE=https://orbeckst.github.com/GromacsWrapper/
+IUSE=python_targets_python2_7
+KEYWORDS=~amd64 ~x86
+LICENSE=GPL-3 LGPL-3
+RDEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=https://github.com/orbeckst/GromacsWrapper/archive/release-0.3.1.tar.gz -> GromacsWrapper-0.3.1.tar.gz
+_eclass_exported_funcs=src_unpack:vcs-snapshot src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	vcs-snapshot	03289f51c769cf409d200d2d628cdd6e	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=391de03515f3c8a5dd2933589fd4195a
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.2 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.2
new file mode 100644
index 000000000000..6bc580910167
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.2
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare test unpack
+DEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=Python framework for Gromacs
+EAPI=5
+HOMEPAGE=https://orbeckst.github.com/GromacsWrapper/
+IUSE=python_targets_python2_7
+KEYWORDS=~amd64 ~x86
+LICENSE=GPL-3 LGPL-3
+RDEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=https://github.com/orbeckst/GromacsWrapper/archive/release-0.3.2.tar.gz -> GromacsWrapper-0.3.2.tar.gz
+_eclass_exported_funcs=src_unpack:vcs-snapshot src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	vcs-snapshot	03289f51c769cf409d200d2d628cdd6e	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=33af38381822cf4cbc69c643ed3b6525
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.5.1 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.5.1
new file mode 100644
index 000000000000..6c8a9c751bec
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.5.1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare test unpack
+DEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=Python framework for Gromacs
+EAPI=6
+HOMEPAGE=https://orbeckst.github.com/GromacsWrapper/
+IUSE=python_targets_python2_7
+KEYWORDS=~amd64 ~x86
+LICENSE=GPL-3 LGPL-3
+RDEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=https://github.com/orbeckst/GromacsWrapper/archive/release-0.5.1.tar.gz -> GromacsWrapper-0.5.1.tar.gz
+_eclass_exported_funcs=src_unpack:vcs-snapshot src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	vcs-snapshot	03289f51c769cf409d200d2d628cdd6e	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=6474bf6d012709e361f4b195d481caef
diff --git a/metadata/md5-cache/sci-chemistry/ParmEd-2.7.3 b/metadata/md5-cache/sci-chemistry/ParmEd-2.7.3
new file mode 100644
index 000000000000..537b637a5e85
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/ParmEd-2.7.3
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare test unpack
+DEPEND=dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)]
+DESCRIPTION=Parameter/topology editor and molecular simulator
+EAPI=6
+HOMEPAGE=https://parmed.github.io/ParmEd/html/index.html
+IUSE=python_targets_python2_7 python_targets_python3_4 python_targets_python3_5 python_targets_python3_6
+KEYWORDS=~amd64 ~x86
+LICENSE=LGPL-2
+RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_4 python_targets_python3_5 python_targets_python3_6 )
+SLOT=0
+SRC_URI=https://github.com/ParmEd/ParmEd/archive/2.7.3.tar.gz -> ParmEd-2.7.3.tar.gz
+_eclass_exported_funcs=src_unpack:vcs-snapshot src_prepare:- src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	vcs-snapshot	03289f51c769cf409d200d2d628cdd6e	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=bd0aae20d1121c134defe3190961693a
diff --git a/metadata/md5-cache/sci-chemistry/PyMca-4.6.2-r1 b/metadata/md5-cache/sci-chemistry/PyMca-4.6.2-r1
new file mode 100644
index 000000000000..7e1250111067
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/PyMca-4.6.2-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] virtual/opengl X? ( dev-python/PyQt4[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyqwt[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) hdf5? ( dev-python/h5py[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) matplotlib? ( dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=X-ray Fluorescence Toolkit
+EAPI=5
+HOMEPAGE=http://pymca.sourceforge.net/
+IUSE=X hdf5 matplotlib python_targets_python2_7
+KEYWORDS=~x86 ~amd64
+LICENSE=GPL-2
+RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] virtual/opengl X? ( dev-python/PyQt4[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyqwt[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) hdf5? ( dev-python/h5py[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) matplotlib? ( dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=mirror://sourceforge/project/pymca/pymca/PyMca4.6.2/pymca4.6.2-src.tgz
+_eclass_exported_funcs=src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=862589e1ddd3f9ab76894b2e291399fa
diff --git a/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2 b/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2
new file mode 100644
index 000000000000..65b1009bdf3f
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=virtual/pkgconfig doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.7.2 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)]
+DESCRIPTION=Evaluation of electrostatic properties of nanoscale biomolecular systems
+EAPI=5
+HOMEPAGE=http://www.poissonboltzmann.org/apbs/
+IUSE=debug doc examples fast +fetk iapbs mpi openmp python tools python_targets_python2_7
+KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux
+LICENSE=BSD
+RDEPEND=dev-cpp/eigen:3 dev-libs/maloc[mpi=] virtual/blas sys-libs/readline fetk? ( sci-libs/fetk sci-libs/amd sci-libs/umfpack sci-libs/superlu ) mpi? ( virtual/mpi ) python? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)]
+REQUIRED_USE=iapbs? ( fetk ) mpi? ( !python ) python? ( tools fetk iapbs python_targets_python2_7 ) python_targets_python2_7
+SLOT=0
+SRC_URI=https://github.com/Electrostatics/apbs-pdb2pqr/archive/74fcb8676de69ed04ddab8976a8b05a6caaf4d65.zip -> apbs-1.4.1.zip
+_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_configure:- src_compile:- src_test:- src_install:-
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=b04838eb8d0fe55b17589c3ab6d29280
diff --git a/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 b/metadata/md5-cache/sci-chemistry/aqua-3.2-r3
new file mode 100644
index 000000000000..25e60abd6c13
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/aqua-3.2-r3
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile install prepare setup
+DEPEND=app-shells/tcsh virtual/fortran
+DESCRIPTION=Program suite in this distribution calculates restraint violations
+EAPI=6
+HOMEPAGE=http://www.biochem.ucl.ac.uk/~roman/procheck/procheck.html
+IUSE=doc examples
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=procheck
+RDEPEND=sci-chemistry/procheck virtual/fortran
+RESTRICT=fetch
+SLOT=0
+SRC_URI=aqua3.2.tar.gz doc? ( aqua-3.2-nmr_manual.tar.gz )
+_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=868759d8f308e88b1f25a24237a4b29a
diff --git a/metadata/md5-cache/sci-chemistry/aria-2.3.2_p20130826 b/metadata/md5-cache/sci-chemistry/aria-2.3.2_p20130826
new file mode 100644
index 000000000000..534099fc4c07
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/aria-2.3.2_p20130826
@@ -0,0 +1,16 @@
+DEFINED_PHASES=install setup test
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix dev-lang/tk:0= >=dev-python/numpy-1.1[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+),tk] >=sci-chemistry/cns-1.2.1-r7[aria,openmp] >=sci-chemistry/ccpn-2.2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/clashlist sci-chemistry/procheck sci-libs/clashscore-db
+DESCRIPTION=Automated NOE assignment and NMR structure calculation
+EAPI=5
+HOMEPAGE=http://aria.pasteur.fr/
+IUSE=examples python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=cns
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix dev-lang/tk:0= >=dev-python/numpy-1.1[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+),tk] >=sci-chemistry/cns-1.2.1-r7[aria,openmp] >=sci-chemistry/ccpn-2.2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/clashlist sci-chemistry/procheck sci-libs/clashscore-db
+REQUIRED_USE=python_targets_python2_7
+RESTRICT=fetch
+SLOT=0
+SRC_URI=http://aria.pasteur.fr/archives/aria2.3.2_08.26.2013.tar.gz
+_eclass_exported_funcs=pkg_setup:- src_test:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=3618f8495068d3edb53c83c9dca1db93
diff --git a/metadata/md5-cache/sci-chemistry/autodock-4.2.6 b/metadata/md5-cache/sci-chemistry/autodock-4.2.6
new file mode 100644
index 000000000000..853ad95b0298
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/autodock-4.2.6
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile configure install postinst prepare setup test
+DEPEND=test? ( || ( >=dev-lang/python-2.7.5-r2:2.7 ) ) >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+DESCRIPTION=A suite of automated docking tools
+EAPI=5
+HOMEPAGE=http://autodock.scripps.edu/
+IUSE=examples openmp test
+KEYWORDS=~amd64 ~x86
+LICENSE=GPL-2
+SLOT=0
+SRC_URI=http://autodock.scripps.edu/downloads/autodock-registration/tars/dist426/autodocksuite-4.2.6-src.tar.gz
+_eclass_exported_funcs=pkg_postinst:- pkg_setup:python-any-r1 src_prepare:- src_configure:- src_compile:- src_test:- src_install:-
+_eclasses_=autotools	7027963e8e8cc12c91117bdb9225dc26	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	libtool	0081a71a261724730ec4c248494f044d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	python-any-r1	27d7f9da7187d283b7f3eae8390b7b09	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=237a416a34f2866e72cbf3f6e1457f06
diff --git a/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2 b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2
new file mode 100644
index 000000000000..34724e8e834c
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile install prepare
+DEPEND=dev-libs/boost[threads]
+DESCRIPTION=Program for drug discovery, molecular docking and virtual screening
+EAPI=5
+HOMEPAGE=http://vina.scripps.edu/
+IUSE=debug
+KEYWORDS=amd64 x86
+LICENSE=Apache-2.0
+RDEPEND=dev-libs/boost[threads]
+SLOT=0
+SRC_URI=http://vina.scripps.edu/download/autodock_vina_1_1_2.tgz
+_eclass_exported_funcs=src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=5cede7d56a643e731ae4d39e6f4cba3d
diff --git a/metadata/md5-cache/sci-chemistry/avogadro-1.0.3-r2 b/metadata/md5-cache/sci-chemistry/avogadro-1.0.3-r2
new file mode 100644
index 000000000000..7c0fe721ac19
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/avogadro-1.0.3-r2
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=>=sci-chemistry/openbabel-2.2.3 >=dev-qt/qtgui-4.5.3:4 >=dev-qt/qtopengl-4.5.3:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0:0= ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) dev-cpp/eigen:2 sys-devel/make >=dev-util/cmake-3.7.2
+DESCRIPTION=Advanced molecular editor that uses Qt4 and OpenGL
+EAPI=5
+HOMEPAGE=http://avogadro.openmolecules.net/
+IUSE=+glsl python cpu_flags_x86_sse2 python_targets_python2_7
+KEYWORDS=~amd64 ~arm ~ppc ~x86
+LICENSE=GPL-2
+RDEPEND=>=sci-chemistry/openbabel-2.2.3 >=dev-qt/qtgui-4.5.3:4 >=dev-qt/qtopengl-4.5.3:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0:0= ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] )
+REQUIRED_USE=python? ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=mirror://sourceforge/avogadro/avogadro-1.0.3.tar.bz2
+_eclass_exported_funcs=pkg_setup:- src_prepare:cmake-utils src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=2a16669c877a90de0d4a71d9a2e5d388
diff --git a/metadata/md5-cache/sci-chemistry/avogadro-1.1.0 b/metadata/md5-cache/sci-chemistry/avogadro-1.1.0
new file mode 100644
index 000000000000..3899270d4f7a
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/avogadro-1.1.0
@@ -0,0 +1,16 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=>=sci-chemistry/openbabel-2.3.0 >=dev-qt/qtgui-4.5.3:4 >=dev-qt/qtopengl-4.5.3:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0:0= ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) dev-cpp/eigen:2 sys-devel/make >=dev-util/cmake-3.7.2
+DESCRIPTION=Advanced molecular editor that uses Qt4 and OpenGL
+EAPI=5
+HOMEPAGE=http://avogadro.openmolecules.net/
+IUSE=+glsl python cpu_flags_x86_sse2 test python_targets_python2_7
+KEYWORDS=~amd64 ~arm ~x86
+LICENSE=GPL-2
+RDEPEND=>=sci-chemistry/openbabel-2.3.0 >=dev-qt/qtgui-4.5.3:4 >=dev-qt/qtopengl-4.5.3:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0:0= ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] )
+REQUIRED_USE=python? ( python_targets_python2_7 )
+RESTRICT=test
+SLOT=0
+SRC_URI=mirror://sourceforge/avogadro/avogadro-1.1.0.tar.bz2
+_eclass_exported_funcs=pkg_setup:- src_prepare:cmake-utils src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=22c78f046b4aa5bf0253a302639c3da0
diff --git a/metadata/md5-cache/sci-chemistry/avogadro-1.1.1 b/metadata/md5-cache/sci-chemistry/avogadro-1.1.1
new file mode 100644
index 000000000000..277067c36c1f
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/avogadro-1.1.1
@@ -0,0 +1,16 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=>=sci-chemistry/openbabel-2.3.0 >=dev-qt/qtgui-4.8.5:4 >=dev-qt/qtopengl-4.8.5:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0:0= ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) virtual/pkgconfig dev-cpp/eigen sys-devel/make >=dev-util/cmake-3.7.2
+DESCRIPTION=Advanced molecular editor that uses Qt4 and OpenGL
+EAPI=6
+HOMEPAGE=http://avogadro.openmolecules.net/
+IUSE=+glsl python cpu_flags_x86_sse2 test python_targets_python2_7
+KEYWORDS=~amd64 ~arm ~x86
+LICENSE=GPL-2
+RDEPEND=>=sci-chemistry/openbabel-2.3.0 >=dev-qt/qtgui-4.8.5:4 >=dev-qt/qtopengl-4.8.5:4 x11-libs/gl2ps glsl? ( >=media-libs/glew-1.5.0:0= ) python? ( >=dev-libs/boost-1.35.0-r5[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/sip[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] )
+REQUIRED_USE=python? ( python_targets_python2_7 )
+RESTRICT=test
+SLOT=0
+SRC_URI=mirror://sourceforge/project/avogadro/avogadro/1.1.1/avogadro-1.1.1.tar.bz2
+_eclass_exported_funcs=pkg_setup:- src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=bd4587ace94a8bbc943813939f380590
diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-0.7.2 b/metadata/md5-cache/sci-chemistry/avogadro2-0.7.2
new file mode 100644
index 000000000000..307f468e0272
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/avogadro2-0.7.2
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=sys-devel/make >=dev-util/cmake-3.7.2
+DESCRIPTION=Advanced molecule editor and visualizer 2
+EAPI=5
+HOMEPAGE=http://www.openchemistry.org/
+IUSE=doc rpc test
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD GPL-2+
+RDEPEND=>=dev-cpp/eigen-3.2.0-r1 dev-qt/qtcore:4 dev-qt/qtgui:4 dev-qt/qtopengl:4 ~sci-libs/avogadrolibs-0.7.2[qt4,opengl] sci-libs/hdf5 rpc? ( sci-chemistry/molequeue )
+RESTRICT=test
+SLOT=0
+SRC_URI=mirror://sourceforge/project/avogadro/avogadro2/0.7.2/avogadroapp-0.7.2.tar.gz
+_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=0e0efdbe1bacc76f2ba3ec62489eae67
diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-0.8.0 b/metadata/md5-cache/sci-chemistry/avogadro2-0.8.0
new file mode 100644
index 000000000000..935e9769ec0f
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/avogadro2-0.8.0
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=>=dev-cpp/eigen-3.2.0-r1 test? ( dev-qt/qttest:5 ) sys-devel/make >=dev-util/cmake-3.7.2
+DESCRIPTION=Advanced molecule editor and visualizer 2
+EAPI=5
+HOMEPAGE=http://www.openchemistry.org/
+IUSE=doc rpc test vtk
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD GPL-2+
+RDEPEND=dev-qt/qtconcurrent:5 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtopengl:5 dev-qt/qtwidgets:5 ~sci-libs/avogadrolibs-0.8.0[qt5,opengl] sci-libs/hdf5 rpc? ( sci-chemistry/molequeue )
+RESTRICT=test
+SLOT=0
+SRC_URI=mirror://sourceforge/project/avogadro/avogadro2/0.8.0/avogadroapp-0.8.0.tar.gz
+_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=66b7c986bd8ebc8e4ec399f86202f60d
diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-0.9.0 b/metadata/md5-cache/sci-chemistry/avogadro2-0.9.0
new file mode 100644
index 000000000000..e2b5d32b2ac6
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/avogadro2-0.9.0
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=dev-cpp/eigen:3 test? ( dev-qt/qttest:5 ) sys-devel/make >=dev-util/cmake-3.7.2
+DESCRIPTION=Advanced molecule editor and visualizer 2
+EAPI=6
+HOMEPAGE=http://www.openchemistry.org/
+IUSE=doc rpc test vtk
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD GPL-2+
+RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtopengl:5 dev-qt/qtwidgets:5 ~sci-libs/avogadrolibs-0.9.0[qt5,opengl] sci-libs/hdf5:= rpc? ( sci-chemistry/molequeue )
+RESTRICT=test
+SLOT=0
+SRC_URI=https://github.com/OpenChemistry/avogadroapp/archive/0.9.0.tar.gz -> avogadro2-0.9.0.tar.gz
+_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=51c5d09273d4065b539208037719dc85
diff --git a/metadata/md5-cache/sci-chemistry/azara-2.8-r5 b/metadata/md5-cache/sci-chemistry/azara-2.8-r5
new file mode 100644
index 000000000000..18333cb70637
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/azara-2.8-r5
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile install postinst prepare
+DEPEND=x11-libs/libX11 x11-libs/motif:0 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] xpm? ( x11-libs/libXpm )
+DESCRIPTION=A suite of programmes to process and view NMR data
+EAPI=5
+HOMEPAGE=http://www.bio.cam.ac.uk/azara/
+IUSE=xpm X python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux
+LICENSE=AZARA
+RDEPEND=x11-libs/libX11 x11-libs/motif:0 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] xpm? ( x11-libs/libXpm )
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=http://www.bio.cam.ac.uk/ccpn/download/azara/azara-2.8-src.tgz
+_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=61397fa3a1756dbcec5590340b3bf4e1
diff --git a/metadata/md5-cache/sci-chemistry/ball-1.4.2-r2 b/metadata/md5-cache/sci-chemistry/ball-1.4.2-r2
new file mode 100644
index 000000000000..ee15b7dca091
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/ball-1.4.2-r2
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=dev-cpp/eigen:3 dev-libs/boost:= dev-qt/qtcore:4 dev-qt/qtgui:4 dev-qt/qtopengl:4 dev-qt/qttest:4 media-libs/glew:0 sci-libs/fftw:3.0[threads?] sci-libs/gsl sci-libs/libsvm sci-mathematics/lpsolve virtual/opengl x11-libs/libX11 cuda? ( dev-util/nvidia-cuda-toolkit ) mpi? ( virtual/mpi ) python? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) sql? ( dev-qt/qtsql:4 ) dev-python/sip sys-devel/bison virtual/yacc sys-devel/make >=dev-util/cmake-3.7.2
+DESCRIPTION=Biochemical Algorithms Library
+EAPI=6
+HOMEPAGE=http://www.ball-project.org/
+IUSE=cuda mpi +python sql test +threads python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=LGPL-2 GPL-3
+RDEPEND=dev-cpp/eigen:3 dev-libs/boost:= dev-qt/qtcore:4 dev-qt/qtgui:4 dev-qt/qtopengl:4 dev-qt/qttest:4 media-libs/glew:0 sci-libs/fftw:3.0[threads?] sci-libs/gsl sci-libs/libsvm sci-mathematics/lpsolve virtual/opengl x11-libs/libX11 cuda? ( dev-util/nvidia-cuda-toolkit ) mpi? ( virtual/mpi ) python? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] ) sql? ( dev-qt/qtsql:4 )
+REQUIRED_USE=python? ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=http://www.ball-project.org/Downloads/v1.4.2/BALL-1.4.2.tar.xz
+_eclass_exported_funcs=pkg_setup:- src_prepare:cmake-utils src_configure:- src_compile:- src_test:cmake-utils src_install:cmake-utils
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=659ac8d204f212cbf93fd1ad490d4f1b
diff --git a/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r1 b/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r1
new file mode 100644
index 000000000000..0d190721adba
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=cairo? ( dev-python/pycairo[svg,python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=Chemical drawing program
+EAPI=5
+HOMEPAGE=http://bkchem.zirael.org/
+IUSE=cairo python_targets_python2_7
+KEYWORDS=~amd64 ~x86
+LICENSE=GPL-2
+RDEPEND=cairo? ( dev-python/pycairo[svg,python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=http://bkchem.zirael.org/download/bkchem-0.14.0-pre2.tar.gz
+_eclass_exported_funcs=src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=4cf3caa12dff715fc57363107b78662e
diff --git a/metadata/md5-cache/sci-chemistry/bodr-10 b/metadata/md5-cache/sci-chemistry/bodr-10
new file mode 100644
index 000000000000..9087aaef040c
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/bodr-10
@@ -0,0 +1,11 @@
+DEFINED_PHASES=configure prepare
+DEPEND=dev-libs/libxslt
+DESCRIPTION=The Blue Obelisk Data Repository listing element and isotope properties
+EAPI=5
+HOMEPAGE=https://sourceforge.net/projects/bodr
+KEYWORDS=~amd64 ~x86 ~ppc-macos
+LICENSE=MIT
+SLOT=0
+SRC_URI=mirror://sourceforge/bodr/bodr-10.tar.bz2
+_eclass_exported_funcs=src_prepare:- src_configure:-
+_md5_=659ed1b6d9656c9b9ac73eb1e2b9e2e7
diff --git a/metadata/md5-cache/sci-chemistry/bodr-9-r1 b/metadata/md5-cache/sci-chemistry/bodr-9-r1
new file mode 100644
index 000000000000..d921e83e4c95
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/bodr-9-r1
@@ -0,0 +1,11 @@
+DEFINED_PHASES=configure prepare
+DEPEND=dev-libs/libxslt
+DESCRIPTION=The Blue Obelisk Data Repository listing element and isotope properties
+EAPI=5
+HOMEPAGE=https://sourceforge.net/projects/bodr
+KEYWORDS=~amd64 ~x86 ~ppc-macos
+LICENSE=MIT
+SLOT=0
+SRC_URI=mirror://sourceforge/bodr/bodr-9.tar.bz2
+_eclass_exported_funcs=src_prepare:- src_configure:-
+_md5_=659ed1b6d9656c9b9ac73eb1e2b9e2e7
diff --git a/metadata/md5-cache/sci-chemistry/burrow-owl-1.5.1 b/metadata/md5-cache/sci-chemistry/burrow-owl-1.5.1
new file mode 100644
index 000000000000..6f4c80b86867
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/burrow-owl-1.5.1
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=dev-libs/g-wrap dev-libs/glib:2 dev-scheme/guile[networking,regex] dev-scheme/guile-cairo dev-scheme/guile-gnome-platform sci-libs/starparse x11-libs/gtk+:2 dev-util/indent virtual/pkgconfig doc? ( app-doc/doxygen ) >=app-portage/elt-patches-20170422 test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost )
+DESCRIPTION=Visualize multidimensional nuclear magnetic resonance (NMR) spectra
+EAPI=5
+HOMEPAGE=http://burrow-owl.sourceforge.net/
+IUSE=doc examples static-libs test
+KEYWORDS=~amd64 ~x86
+LICENSE=GPL-2
+RDEPEND=dev-libs/g-wrap dev-libs/glib:2 dev-scheme/guile[networking,regex] dev-scheme/guile-cairo dev-scheme/guile-gnome-platform sci-libs/starparse x11-libs/gtk+:2
+SLOT=0
+SRC_URI=mirror://sourceforge/burrow-owl/burrow-owl-1.5.1.tar.gz examples? ( mirror://sourceforge/burrow-owl/burrow-demos.tar )
+_eclass_exported_funcs=src_prepare:autotools-utils src_configure:- src_compile:autotools-utils src_test:- src_install:-
+_eclasses_=autotools	7027963e8e8cc12c91117bdb9225dc26	autotools-utils	5a4611dfba155b1659528663fad4cd5e	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	libtool	0081a71a261724730ec4c248494f044d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af	virtualx	171580f737f5aaf18fcb456548588066
+_md5_=5f0bc5f8fea2aeba8ccde1148ad9f789
diff --git a/metadata/md5-cache/sci-chemistry/cara-bin-1.8.4-r1 b/metadata/md5-cache/sci-chemistry/cara-bin-1.8.4-r1
new file mode 100644
index 000000000000..642e0bb3ec47
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/cara-bin-1.8.4-r1
@@ -0,0 +1,13 @@
+DEFINED_PHASES=install
+DESCRIPTION=Analysis of NMR spectra and Computer Aided Resonance Assignment
+EAPI=5
+HOMEPAGE=http://www.nmr.ch
+IUSE=lua
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=CARA
+RDEPEND=!prefix? ( >=media-libs/fontconfig-2.10.92[abi_x86_32(-)] >=media-libs/freetype-2.5.0.1[abi_x86_32(-)] >=x11-libs/libICE-1.0.8-r1[abi_x86_32(-)] >=x11-libs/libSM-1.2.1-r1[abi_x86_32(-)] >=x11-libs/libX11-1.6.2[abi_x86_32(-)] >=x11-libs/libXcursor-1.1.14[abi_x86_32(-)] >=x11-libs/libXext-1.3.2[abi_x86_32(-)] >=x11-libs/libXi-1.7.2[abi_x86_32(-)] >=x11-libs/libXrandr-1.4.2[abi_x86_32(-)] >=x11-libs/libXrender-0.9.8[abi_x86_32(-)] ) virtual/libstdc++ lua? ( dev-lang/lua )
+RESTRICT=mirror
+SLOT=0
+SRC_URI=http://www.cara.nmr-software.org/downloads/cara_1.8.4_linux.gz https://dev.gentoo.org/~jlec/distfiles//Start1.2.cara.xz
+_eclass_exported_funcs=src_install:-
+_md5_=a3db6a9ce9e58ca7b5d739c5f5cba2ec
diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.1_p150226 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.1_p150226
new file mode 100644
index 000000000000..4bb024e8fc34
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.1_p150226
@@ -0,0 +1,16 @@
+DEFINED_PHASES=compile install prepare setup
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.1*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] )
+DESCRIPTION=The Collaborative Computing Project for NMR
+EAPI=5
+HOMEPAGE=http://www.ccpn.ac.uk/v2-software/software
+IUSE=+opengl python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=|| ( CCPN LGPL-2.1 )
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.1*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] )
+REQUIRED_USE=python_targets_python2_7
+RESTRICT=mirror
+SLOT=0
+SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.1.tar.gz https://dev.gentoo.org/~jlec/distfiles/ccpn-update-2.4.1-150226.patch.xz
+_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	portability	2b88d3ecc35035a3b8ab628b49cafb0e	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=a4f8d026829b291c8cdfd8ad9fa487ae
diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.2 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2
new file mode 100644
index 000000000000..61bdc8456db5
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2
@@ -0,0 +1,16 @@
+DEFINED_PHASES=compile install prepare setup
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] )
+DESCRIPTION=The Collaborative Computing Project for NMR
+EAPI=5
+HOMEPAGE=http://www.ccpn.ac.uk/v2-software/software
+IUSE=+opengl python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=|| ( CCPN LGPL-2.1 )
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] )
+REQUIRED_USE=python_targets_python2_7
+RESTRICT=mirror
+SLOT=0
+SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.2.tar.gz
+_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	portability	2b88d3ecc35035a3b8ab628b49cafb0e	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=e900682ef2dda7306d89814e41121f85
diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150325 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150325
new file mode 100644
index 000000000000..c2d513e314eb
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150325
@@ -0,0 +1,16 @@
+DEFINED_PHASES=compile install prepare setup
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] )
+DESCRIPTION=The Collaborative Computing Project for NMR
+EAPI=5
+HOMEPAGE=http://www.ccpn.ac.uk/v2-software/software
+IUSE=+opengl python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=|| ( CCPN LGPL-2.1 )
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] )
+REQUIRED_USE=python_targets_python2_7
+RESTRICT=mirror
+SLOT=0
+SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.2.tar.gz https://dev.gentoo.org/~jlec/distfiles/ccpn-update-2.4.2-150325.patch.xz
+_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	portability	2b88d3ecc35035a3b8ab628b49cafb0e	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=a4f8d026829b291c8cdfd8ad9fa487ae
diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150413 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150413
new file mode 100644
index 000000000000..d30acced0fbf
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150413
@@ -0,0 +1,16 @@
+DEFINED_PHASES=compile install prepare setup
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] )
+DESCRIPTION=The Collaborative Computing Project for NMR
+EAPI=5
+HOMEPAGE=http://www.ccpn.ac.uk/v2-software/software
+IUSE=+opengl python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=|| ( CCPN LGPL-2.1 )
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] )
+REQUIRED_USE=python_targets_python2_7
+RESTRICT=mirror
+SLOT=0
+SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.2.tar.gz https://dev.gentoo.org/~jlec/distfiles/ccpn-update-2.4.2-150413.patch.xz
+_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	portability	2b88d3ecc35035a3b8ab628b49cafb0e	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=a4f8d026829b291c8cdfd8ad9fa487ae
diff --git a/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150421 b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150421
new file mode 100644
index 000000000000..63d0596c9162
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/ccpn-2.4.2_p150421
@@ -0,0 +1,16 @@
+DEFINED_PHASES=compile install prepare setup
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] )
+DESCRIPTION=The Collaborative Computing Project for NMR
+EAPI=5
+HOMEPAGE=http://www.ccpn.ac.uk/v2-software/software
+IUSE=+opengl python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=|| ( CCPN LGPL-2.1 )
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[ssl,tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-lang/tk:0=[threads] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-tcltk/tix =sci-libs/ccpn-data-2.4.2*[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-biology/psipred x11-libs/libXext x11-libs/libX11 opengl? ( media-libs/freeglut dev-python/pyglet[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] )
+REQUIRED_USE=python_targets_python2_7
+RESTRICT=mirror
+SLOT=0
+SRC_URI=http://www-old.ccpn.ac.uk/download/ccpnmr/analysis2.4.2.tar.gz https://dev.gentoo.org/~jlec/distfiles/ccpn-update-2.4.2-150421.patch.xz
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diff --git a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r2 b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r2
new file mode 100644
index 000000000000..2abbf19472c8
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r2
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile configure install postinst postrm prepare test
+DEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info dev-util/intltool dev-util/desktop-file-utils dev-libs/libxslt media-gfx/imagemagick[xml,png,svg] media-gfx/inkscape virtual/pkgconfig >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+DESCRIPTION=A collection of data files to add support for chemical MIME types
+EAPI=5
+HOMEPAGE=http://chemical-mime.sourceforge.net/
+KEYWORDS=amd64 x86
+LICENSE=LGPL-2.1
+RDEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info
+SLOT=0
+SRC_URI=mirror://sourceforge/chemical-mime/chemical-mime-data-0.1.94.tar.bz2
+_eclass_exported_funcs=pkg_postrm:- pkg_postinst:- src_prepare:- src_configure:- src_compile:autotools-utils src_test:autotools-utils src_install:autotools-utils
+_eclasses_=autotools	7027963e8e8cc12c91117bdb9225dc26	autotools-utils	5a4611dfba155b1659528663fad4cd5e	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	fdo-mime	21ef5adf81836863efa968f2a25cff64	libtool	0081a71a261724730ec4c248494f044d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=05c326368174a5f93dea291b476ac17f
diff --git a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r3 b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r3
new file mode 100644
index 000000000000..35561fa7a6b3
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r3
@@ -0,0 +1,13 @@
+DEFINED_PHASES=configure postinst postrm preinst prepare
+DEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info dev-util/intltool dev-util/desktop-file-utils dev-libs/libxslt || ( gnome-base/librsvg media-gfx/imagemagick[xml,png,svg] ) media-gfx/imagemagick[png] virtual/pkgconfig >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 dev-util/desktop-file-utils x11-misc/shared-mime-info
+DESCRIPTION=A collection of data files to add support for chemical MIME types
+EAPI=6
+HOMEPAGE=http://chemical-mime.sourceforge.net/
+KEYWORDS=amd64 arm x86
+LICENSE=LGPL-2.1
+RDEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info
+SLOT=0
+SRC_URI=mirror://sourceforge/chemical-mime/chemical-mime-data-0.1.94.tar.bz2
+_eclass_exported_funcs=pkg_preinst:xdg pkg_postrm:xdg pkg_postinst:xdg src_prepare:- src_configure:-
+_eclasses_=autotools	7027963e8e8cc12c91117bdb9225dc26	libtool	0081a71a261724730ec4c248494f044d	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af	xdg	6cd76cc914c1a759dee032778487b57f	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
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diff --git a/metadata/md5-cache/sci-chemistry/chemtool-1.6.13 b/metadata/md5-cache/sci-chemistry/chemtool-1.6.13
new file mode 100644
index 000000000000..f667ab5ec200
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/chemtool-1.6.13
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) virtual/pkgconfig >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+DESCRIPTION=A GTK program for drawing organic molecules
+EAPI=4
+HOMEPAGE=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/
+IUSE=emf gnome nls
+KEYWORDS=amd64 ppc x86
+LICENSE=GPL-2
+RDEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf )
+SLOT=0
+SRC_URI=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/chemtool-1.6.13.tar.gz
+_eclass_exported_funcs=src_prepare:autotools-utils src_configure:- src_compile:autotools-utils src_test:autotools-utils src_install:-
+_eclasses_=autotools	7027963e8e8cc12c91117bdb9225dc26	autotools-utils	5a4611dfba155b1659528663fad4cd5e	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	libtool	0081a71a261724730ec4c248494f044d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=0419d3fd05ddf3d1ba49544e92c6f6e4
diff --git a/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14
new file mode 100644
index 000000000000..759776807b7a
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) virtual/pkgconfig >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+DESCRIPTION=A GTK program for drawing organic molecules
+EAPI=5
+HOMEPAGE=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/
+IUSE=emf gnome nls
+KEYWORDS=~amd64 ~ppc ~x86
+LICENSE=GPL-2
+RDEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf )
+SLOT=0
+SRC_URI=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/chemtool-1.6.14.tar.gz
+_eclass_exported_funcs=src_prepare:autotools-utils src_configure:- src_compile:autotools-utils src_test:autotools-utils src_install:-
+_eclasses_=autotools	7027963e8e8cc12c91117bdb9225dc26	autotools-utils	5a4611dfba155b1659528663fad4cd5e	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	libtool	0081a71a261724730ec4c248494f044d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=e9b083053d5fe0e1f7cf3a6f14238366
diff --git a/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1 b/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1
new file mode 100644
index 000000000000..c255fc1abd47
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1
@@ -0,0 +1,12 @@
+DEFINED_PHASES=install prepare
+DEPEND=>=sci-chemistry/cluster-1.3.081231-r1 sci-chemistry/probe
+DESCRIPTION=Build lists of van der Waals clashes from an input PDB file
+EAPI=4
+HOMEPAGE=http://kinemage.biochem.duke.edu/software/index.php
+KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux
+LICENSE=richardson
+RDEPEND=>=sci-chemistry/cluster-1.3.081231-r1 sci-chemistry/probe
+SLOT=0
+SRC_URI=mirror://gentoo/molprobity-3.17.tgz
+_eclass_exported_funcs=src_prepare:- src_install:-
+_md5_=a77e7433a491d66a2fbf450027a02d66
diff --git a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231 b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231
new file mode 100644
index 000000000000..da5eae4fcf1c
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231
@@ -0,0 +1,11 @@
+DEFINED_PHASES=install prepare
+DESCRIPTION=Build lists of collections of interacting items
+EAPI=4
+HOMEPAGE=http://kinemage.biochem.duke.edu/software/index.php
+KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux
+LICENSE=richardson
+SLOT=0
+SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/cluster/cluster.1.3.081231.src.tgz
+_eclass_exported_funcs=src_prepare:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=8d18d1acbf26b98dedd17ce5f26b5f45
diff --git a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1
new file mode 100644
index 000000000000..69ea5174ee35
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1
@@ -0,0 +1,11 @@
+DEFINED_PHASES=install prepare
+DESCRIPTION=Build lists of collections of interacting items
+EAPI=5
+HOMEPAGE=http://kinemage.biochem.duke.edu/software/index.php
+KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux
+LICENSE=richardson
+SLOT=0
+SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/cluster/cluster.1.3.081231.src.tgz
+_eclass_exported_funcs=src_prepare:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
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diff --git a/metadata/md5-cache/sci-chemistry/cns-1.2.1-r8 b/metadata/md5-cache/sci-chemistry/cns-1.2.1-r8
new file mode 100644
index 000000000000..14c85dcbbb8a
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/cns-1.2.1-r8
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile install postinst prepare setup test
+DEPEND=app-shells/tcsh virtual/fortran
+DESCRIPTION=Crystallography and NMR System
+EAPI=5
+HOMEPAGE=http://cns.csb.yale.edu/
+IUSE=aria openmp
+KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux
+LICENSE=cns
+RDEPEND=app-shells/tcsh virtual/fortran
+RESTRICT=fetch test
+SLOT=0
+SRC_URI=cns_solve_1.21_all-mp.tar.gz aria? ( aria2.3.2.tar.gz )
+_eclass_exported_funcs=pkg_postinst:- pkg_setup:- src_prepare:- src_compile:- src_test:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=5916cc396ab6f9cc576a6b6ad324cca0
diff --git a/metadata/md5-cache/sci-chemistry/cns-1.3_p7-r1 b/metadata/md5-cache/sci-chemistry/cns-1.3_p7-r1
new file mode 100644
index 000000000000..b09fd98a5684
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/cns-1.3_p7-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile install postinst prepare setup test
+DEPEND=app-shells/tcsh virtual/fortran
+DESCRIPTION=Crystallography and NMR System
+EAPI=5
+HOMEPAGE=http://cns.csb.yale.edu/
+IUSE=aria openmp
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=cns
+RDEPEND=app-shells/tcsh virtual/fortran
+RESTRICT=fetch
+SLOT=0
+SRC_URI=cns_solve_1.3_all.tar.gz aria? ( aria2.3.1.tar.gz )
+_eclass_exported_funcs=pkg_postinst:- pkg_setup:- src_prepare:- src_compile:- src_test:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=37e7e7a3bac4cfcc2fd11c1701ec9719
diff --git a/metadata/md5-cache/sci-chemistry/coot-0.8.2-r1 b/metadata/md5-cache/sci-chemistry/coot-0.8.2-r1
new file mode 100644
index 000000000000..7f46a16cc89b
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/coot-0.8.2-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare setup test unpack
+DEPEND=sci-libs/libccp4 sci-libs/clipper >=sci-libs/coot-data-2 >=sci-libs/gsl-1.3 sci-libs/fftw:2.1= sci-libs/mmdb:2 sci-libs/monomer-db sci-libs/ssm sci-chemistry/reduce sci-chemistry/probe gnome-base/libgnomecanvas gnome-base/librsvg:2 media-libs/libpng:0= media-libs/freeglut x11-libs/gtk+:2 x11-libs/goocanvas:0 x11-libs/gtkglext virtual/opengl <dev-scheme/guile-2 dev-scheme/net-http dev-scheme/guile-gui >=dev-scheme/guile-lib-0.1.6 dev-scheme/guile-www >=x11-libs/guile-gtk-2.1 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-db/sqlite:3 dev-libs/boost:0=[python,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-libs/glib:2 >=dev-libs/gmp-4.2.2-r2:0= dev-python/pygobject:2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/pygtk:2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] >=net-misc/curl-7.19.6 net-dns/libidn sys-libs/readline:0= virtual/pkgconfig >=sys-devel/libtool-2.4-r2 dev-lang/swig sys-devel/bc test? ( dev-scheme/greg ) >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+DESCRIPTION=Crystallographic Object-Oriented Toolkit
+EAPI=5
+HOMEPAGE=https://www2.mrc-lmb.cam.ac.uk/Personal/pemsley/coot/
+IUSE=+openmp static-libs test python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-3
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new file mode 100644
index 000000000000..92b7c5c20fac
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/cyana-2.1
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+DEFINED_PHASES=compile install prepare setup
+DEPEND=dev-lang/ifc virtual/fortran
+DESCRIPTION=Combined assignment and dynamics algorithm for NMR applications
+EAPI=5
+HOMEPAGE=http://www.las.jp/english/products/cyana.html
+IUSE=examples
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=CYANA
+RDEPEND=dev-lang/ifc virtual/fortran
+RESTRICT=fetch
+SLOT=0
+SRC_URI=cyana-2.1.tar.gz
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index 000000000000..b2c31841afe6
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r1
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+DEFINED_PHASES=install prepare
+DEPEND=dev-libs/boost:=[threads]
+DESCRIPTION=The protein secondary structure standard
+EAPI=5
+HOMEPAGE=http://swift.cmbi.ru.nl/gv/dssp/
+KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux
+LICENSE=Boost-1.0
+RDEPEND=dev-libs/boost:=[threads]
+SLOT=0
+SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molbio/software/dssp-2/dssp-2.2.1.tgz
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diff --git a/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 b/metadata/md5-cache/sci-chemistry/easychem-0.6-r1
new file mode 100644
index 000000000000..fb489d8b3030
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+DESCRIPTION=Chemical structure drawing program - focused on presentation
+EAPI=5
+HOMEPAGE=http://easychem.sourceforge.net/
+KEYWORDS=amd64 ~ppc x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=x11-libs/gtk+:2 app-text/ghostscript-gpl media-gfx/pstoedit
+SLOT=0
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diff --git a/metadata/md5-cache/sci-chemistry/eden-5.3-r2 b/metadata/md5-cache/sci-chemistry/eden-5.3-r2
new file mode 100644
index 000000000000..83c3a87c575f
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+DESCRIPTION=A crystallographic real-space electron-density refinement & optimization program
+EAPI=5
+HOMEPAGE=http://www.gromacs.org/pipermail/eden-users/
+IUSE=double-precision python_targets_python2_7
+KEYWORDS=amd64 x86
+LICENSE=GPL-2
+RDEPEND=sci-libs/fftw:2.1 sci-libs/gsl python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
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new file mode 100644
index 000000000000..5e3a376c7d31
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+DEPEND=x11-libs/xforms
+DESCRIPTION=periodic table of the elements
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+HOMEPAGE=http://elem.sourceforge.net/
+KEYWORDS=amd64 sparc x86
+LICENSE=GPL-2
+RDEPEND=x11-libs/xforms
+SLOT=0
+SRC_URI=mirror://sourceforge/elem/elem-src-1.0.3-Linux.tgz
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diff --git a/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2
new file mode 100644
index 000000000000..f435bdbfbbd6
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+DEFINED_PHASES=compile install unpack
+DEPEND=x11-libs/xforms
+DESCRIPTION=periodic table of the elements
+EAPI=0
+HOMEPAGE=http://elem.sourceforge.net/
+KEYWORDS=~amd64 ~sparc ~x86
+LICENSE=GPL-2
+RDEPEND=x11-libs/xforms
+SLOT=0
+SRC_URI=mirror://sourceforge/elem/elem-src-1.0.3-Linux.tgz
+_eclass_exported_funcs=src_unpack:- src_compile:- src_install:-
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diff --git a/metadata/md5-cache/sci-chemistry/freeon-1.0.10 b/metadata/md5-cache/sci-chemistry/freeon-1.0.10
new file mode 100644
index 000000000000..471697a85b95
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+++ b/metadata/md5-cache/sci-chemistry/freeon-1.0.10
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+DEFINED_PHASES=prepare setup
+DEPEND=sci-libs/hdf5 virtual/blas virtual/lapack || ( dev-lang/python:3.6 dev-lang/python:3.5 dev-lang/python:3.4 >=dev-lang/python-2.7.5-r2:2.7 ) >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran
+DESCRIPTION=An experimental suite of programs for linear scaling quantum chemistry
+EAPI=6
+HOMEPAGE=http://www.freeon.org
+KEYWORDS=~amd64 ~x86
+LICENSE=GPL-3
+RDEPEND=sci-libs/hdf5 virtual/blas virtual/lapack virtual/fortran
+SLOT=0
+SRC_URI=http://download.savannah.gnu.org/releases/freeon/freeon-1.0.10.tar.bz2
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index 000000000000..f16f1a73027b
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+DESCRIPTION=An experimental suite of programs for linear scaling quantum chemistry
+EAPI=5
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+KEYWORDS=~amd64 ~x86
+LICENSE=GPL-3
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+DESCRIPTION=GUI for computational chemistry packages
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+HOMEPAGE=http://gabedit.sourceforge.net/
+IUSE=openmp
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+DESCRIPTION=GUI for computational chemistry packages
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+DESCRIPTION=Periodic table viewer with detailed information on the chemical elements
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+_eclasses_=base	df2aa567b3f0595aae0d0923889f7631	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	qmake-utils	990448b067cb3cfe1443bc25fb57239c	qt4-r2	b7985a3197fbc3a22d059f19904e735b	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=952b237476b1e3b1d25e73077cf5ea4f
diff --git a/metadata/md5-cache/sci-chemistry/gsim-21.3-r1 b/metadata/md5-cache/sci-chemistry/gsim-21.3-r1
new file mode 100644
index 000000000000..1fce62c14b9b
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/gsim-21.3-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=configure install prepare
+DEPEND=dev-cpp/muParser media-libs/freetype sci-libs/libcmatrix sci-libs/minuit virtual/blas dev-qt/qtsvg:4 emf? ( media-libs/libemf ) opengl? ( dev-qt/qtopengl:4 ) virtual/pkgconfig
+DESCRIPTION=Visualisation and processing of experimental and simulated NMR spectra
+EAPI=6
+HOMEPAGE=https://sourceforge.net/projects/gsim/
+IUSE=cpu_flags_x86_sse3 emf opengl
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=dev-cpp/muParser media-libs/freetype sci-libs/libcmatrix sci-libs/minuit virtual/blas dev-qt/qtsvg:4 emf? ( media-libs/libemf ) opengl? ( dev-qt/qtopengl:4 )
+REQUIRED_USE=cpu_flags_x86_sse3
+SLOT=0
+SRC_URI=mirror://sourceforge/gsim/gsim-21.3.tar.gz
+_eclass_exported_funcs=src_prepare:- src_configure:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	qmake-utils	990448b067cb3cfe1443bc25fb57239c	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=59b517da10ba489e93fb59b712f13c32
diff --git a/metadata/md5-cache/sci-chemistry/hollow-1.2-r1 b/metadata/md5-cache/sci-chemistry/hollow-1.2-r1
new file mode 100644
index 000000000000..e912da2f6ecd
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/hollow-1.2-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=install
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] app-arch/unzip
+DESCRIPTION=Production of surface images of proteins
+EAPI=5
+HOMEPAGE=http://hollow.sourceforge.net/
+IUSE=python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-3
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=http://hollow.sourceforge.net/hollow-1.2.zip
+_eclass_exported_funcs=src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=f30b26c5e318f9cc07d344abd4c9fde2
diff --git a/metadata/md5-cache/sci-chemistry/jmol-12.0.45-r1 b/metadata/md5-cache/sci-chemistry/jmol-12.0.45-r1
new file mode 100644
index 000000000000..522d68474bda
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/jmol-12.0.45-r1
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install postinst preinst prepare prerm setup
+DEPEND=>=virtual/jdk-1.4 !client-only? ( >=app-admin/webapp-config-1.50.15 ) dev-java/commons-cli:1 dev-java/itext:0 sci-libs/jmol-acme:0 sci-libs/vecmath-objectclub:0 >=dev-java/java-config-2.2.0-r3 >=dev-java/ant-core-1.8.2:0 >=dev-java/javatoolkit-0.3.0-r2
+DESCRIPTION=Java molecular viever for 3-D chemical structures
+EAPI=5
+HOMEPAGE=http://jmol.sourceforge.net/
+IUSE=client-only vhosts elibc_FreeBSD elibc_FreeBSD
+KEYWORDS=~amd64 ~x86
+LICENSE=LGPL-2.1
+RDEPEND=>=virtual/jre-1.4 dev-java/commons-cli:1 dev-java/itext:0 sci-libs/jmol-acme:0 sci-libs/vecmath-objectclub:0 >=dev-java/java-config-2.2.0-r3
+SLOT=0
+SRC_URI=mirror://sourceforge/jmol/Jmol-12.0.45-full.tar.gz https://dev.gentoo.org/~jlec/distfiles/jmol-selfSignedCertificate.store.tar
+_eclass_exported_funcs=pkg_prerm:- pkg_preinst:java-pkg-2 pkg_postinst:- pkg_setup:- src_prepare:- src_configure:java-ant-2 src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	java-ant-2	4e2b30d918dda38a51839a4d45282b62	java-pkg-2	c4e6af2574fd1dc79b43a6e27af4b5fb	java-utils-2	1971a6927fcd7ec839f7e12b28a24bdd	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0	webapp	a76ebd3cb5649737496e8238992dd7ca
+_md5_=e5be2ed02e2c454e5aae9177da649849
diff --git a/metadata/md5-cache/sci-chemistry/jmol-12.2.27-r1 b/metadata/md5-cache/sci-chemistry/jmol-12.2.27-r1
new file mode 100644
index 000000000000..c1067b5b331f
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/jmol-12.2.27-r1
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install postinst preinst prepare prerm setup
+DEPEND=>=virtual/jdk-1.5 dev-java/saxon:6.5 !client-only? ( >=app-admin/webapp-config-1.50.15 ) dev-java/commons-cli:1 dev-java/itext:0 sci-libs/jmol-acme:0 sci-libs/vecmath-objectclub:0 sci-libs/naga >=dev-java/java-config-2.2.0-r3 >=dev-java/ant-core-1.8.2:0 >=dev-java/javatoolkit-0.3.0-r2
+DESCRIPTION=Java molecular viever for 3-D chemical structures
+EAPI=5
+HOMEPAGE=http://jmol.sourceforge.net/
+IUSE=+client-only vhosts elibc_FreeBSD elibc_FreeBSD
+KEYWORDS=~x86 ~amd64
+LICENSE=LGPL-2.1
+RDEPEND=>=virtual/jre-1.5 dev-java/commons-cli:1 dev-java/itext:0 sci-libs/jmol-acme:0 sci-libs/vecmath-objectclub:0 sci-libs/naga >=dev-java/java-config-2.2.0-r3
+SLOT=0
+SRC_URI=mirror://sourceforge/jmol/Jmol-12.2.27-full.tar.gz https://dev.gentoo.org/~jlec/distfiles/jmol-selfSignedCertificate.store.tar
+_eclass_exported_funcs=pkg_prerm:- pkg_preinst:java-pkg-2 pkg_postinst:- pkg_setup:- src_prepare:- src_configure:java-ant-2 src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	java-ant-2	4e2b30d918dda38a51839a4d45282b62	java-pkg-2	c4e6af2574fd1dc79b43a6e27af4b5fb	java-utils-2	1971a6927fcd7ec839f7e12b28a24bdd	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0	webapp	a76ebd3cb5649737496e8238992dd7ca
+_md5_=de2dedca3cc13b31429da06c08257045
diff --git a/metadata/md5-cache/sci-chemistry/ksdssp-040728 b/metadata/md5-cache/sci-chemistry/ksdssp-040728
new file mode 100644
index 000000000000..979c60f4ef49
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/ksdssp-040728
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile install unpack
+DEPEND=sci-libs/libpdb++ app-arch/sharutils
+DESCRIPTION=ksdssp is an open source implementation of dssp
+EAPI=4
+HOMEPAGE=http://www.cgl.ucsf.edu/Overview/software.html
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD
+RDEPEND=sci-libs/libpdb++
+SLOT=0
+SRC_URI=mirror://gentoo/ksdssp-040728.shar
+_eclass_exported_funcs=src_unpack:- src_compile:- src_install:-
+_eclasses_=multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=9341a83847fb51ec937947def46188ac
diff --git a/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 b/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1
new file mode 100644
index 000000000000..05ca5abfe3d8
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile install unpack
+DEPEND=sci-libs/libpdb++ app-arch/sharutils
+DESCRIPTION=An open source implementation of sci-chemistry/dssp
+EAPI=4
+HOMEPAGE=http://www.cgl.ucsf.edu/Overview/software.html
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD
+RDEPEND=sci-libs/libpdb++
+SLOT=0
+SRC_URI=mirror://gentoo/ksdssp-040728.shar
+_eclass_exported_funcs=src_unpack:- src_compile:- src_install:-
+_eclasses_=multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=6bb092702547ffcfeb08d0f5ac9988de
diff --git a/metadata/md5-cache/sci-chemistry/mars-1.2 b/metadata/md5-cache/sci-chemistry/mars-1.2
new file mode 100644
index 000000000000..5401420b3dd2
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/mars-1.2
@@ -0,0 +1,13 @@
+DEFINED_PHASES=install
+DESCRIPTION=Robust automatic backbone assignment of proteins
+EAPI=4
+HOMEPAGE=http://www.mpibpc.mpg.de/groups/zweckstetter/_links/software_mars.htm
+IUSE=examples
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=all-rights-reserved
+RDEPEND=sci-biology/psipred
+RESTRICT=mirror
+SLOT=0
+SRC_URI=http://www.mpibpc.mpg.de/groups/zweckstetter/_software_files/_mars/mars-1.2_linux.tar.gz
+_eclass_exported_funcs=src_install:-
+_md5_=e01a256527afa2d3dd3fe9840c6af7e8
diff --git a/metadata/md5-cache/sci-chemistry/massxpert-3.4.0 b/metadata/md5-cache/sci-chemistry/massxpert-3.4.0
new file mode 100644
index 000000000000..fcaba74d6f43
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/massxpert-3.4.0
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=doc? ( virtual/latex-base ) sys-devel/make >=dev-util/cmake-3.7.2
+DESCRIPTION=Software suite to predict/analyze mass spectrometric data on (bio)polymers
+EAPI=5
+HOMEPAGE=http://massxpert.org
+IUSE=debug doc linguas_fr
+KEYWORDS=~amd64 ~x86
+LICENSE=GPL-3
+RDEPEND=dev-qt/qtsvg:4[debug?]
+SLOT=0
+SRC_URI=http://download.tuxfamily.org/massxpert/source/massxpert-3.4.0.tar.bz2
+_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:-
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=31326aa0656bc3c6502af19adba4a4eb
diff --git a/metadata/md5-cache/sci-chemistry/mdanalysis-0.7.7 b/metadata/md5-cache/sci-chemistry/mdanalysis-0.7.7
new file mode 100644
index 000000000000..f8a67397f6ce
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/mdanalysis-0.7.7
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/networkx[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/scientificpython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/GridDataFormats[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/netcdf4-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] test? ( dev-python/nose[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=A python library to analyze and manipulate molecular dynamics trajectories
+EAPI=5
+HOMEPAGE=http://www.mdanalysis.org/
+IUSE=test python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/networkx[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/scientificpython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/GridDataFormats[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/netcdf4-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=https://mdanalysis.googlecode.com/files/MDAnalysis-0.7.7.tar.gz
+_eclass_exported_funcs=src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=9997890a6edc2e5541f8e85e72ec797f
diff --git a/metadata/md5-cache/sci-chemistry/mm-align-20120321 b/metadata/md5-cache/sci-chemistry/mm-align-20120321
new file mode 100644
index 000000000000..83a70446a646
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/mm-align-20120321
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=sys-devel/make >=dev-util/cmake-3.7.2 virtual/fortran
+DESCRIPTION=Protein Complex Structural Alignment
+EAPI=6
+HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/MM-align/
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=tm-align
+RDEPEND=virtual/fortran
+SLOT=0
+SRC_URI=https://dev.gentoo.org/~jlec/distfiles/MM-align-20120321.tar.xz
+_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_configure:cmake-utils src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=49c7ebd406de721ad41571fdc9428f3f
diff --git a/metadata/md5-cache/sci-chemistry/molden-4.8-r2 b/metadata/md5-cache/sci-chemistry/molden-4.8-r2
new file mode 100644
index 000000000000..bc14b9e47ac4
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molden-4.8-r2
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile install prepare setup
+DEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) x11-misc/gccmakedep app-editors/vim virtual/fortran
+DESCRIPTION=Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac
+EAPI=4
+HOMEPAGE=http://www.cmbi.ru.nl/molden/
+IUSE=opengl
+KEYWORDS=amd64 x86
+LICENSE=MOLDEN
+RDEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) virtual/fortran
+SLOT=0
+SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden4.8.tar.gz
+_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=a2052fb8908814c1a8209dbb113b03f4
diff --git a/metadata/md5-cache/sci-chemistry/molden-5.0 b/metadata/md5-cache/sci-chemistry/molden-5.0
new file mode 100644
index 000000000000..f0ee426a8e24
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molden-5.0
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile install prepare setup
+DEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) x11-misc/gccmakedep app-editors/vim virtual/fortran
+DESCRIPTION=Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac
+EAPI=4
+HOMEPAGE=http://www.cmbi.ru.nl/molden/
+IUSE=opengl
+KEYWORDS=~amd64 ~x86
+LICENSE=MOLDEN
+RDEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) virtual/fortran
+SLOT=0
+SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.0.tar.gz
+_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=3f72a917ea1b4679bf81847dd5857b2d
diff --git a/metadata/md5-cache/sci-chemistry/molden-5.5 b/metadata/md5-cache/sci-chemistry/molden-5.5
new file mode 100644
index 000000000000..7c9afeb149fd
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molden-5.5
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile install prepare setup
+DEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) x11-misc/gccmakedep app-editors/vim virtual/fortran
+DESCRIPTION=Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac
+EAPI=6
+HOMEPAGE=http://www.cmbi.ru.nl/molden/
+IUSE=opengl
+KEYWORDS=~amd64 ~x86
+LICENSE=MOLDEN
+RDEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) virtual/fortran
+SLOT=0
+SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.5.tar.gz
+_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=774949207509932883597b3ca5c7de7d
diff --git a/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2
new file mode 100644
index 000000000000..4d0057eae0f4
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile configure install prepare
+DEPEND=doc? ( virtual/latex-base )
+DESCRIPTION=Molecular dynamics simulations platform
+EAPI=4
+HOMEPAGE=http://www.ccp5.ac.uk/moldy/moldy.html
+IUSE=doc examples
+KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux ~ppc-macos
+LICENSE=GPL-2
+SLOT=0
+SRC_URI=ftp://ftp.earth.ox.ac.uk/pub/keith/moldy-2.16e.tar.gz
+_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=b14f301c0d5e50d724cd31291ed59e3f
diff --git a/metadata/md5-cache/sci-chemistry/molequeue-0.7.1 b/metadata/md5-cache/sci-chemistry/molequeue-0.7.1
new file mode 100644
index 000000000000..f5c34283f835
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molequeue-0.7.1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-qt/qtcore:4 dev-qt/qtgui:4 zeromq? ( net-libs/cppzmq:0= ) doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.7.2 test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost )
+DESCRIPTION=Abstract, manage and coordinate execution of tasks
+EAPI=5
+HOMEPAGE=http://www.openchemistry.org/OpenChemistry/project/molequeue.html
+IUSE=+client doc server test +zeromq python_targets_python2_7 test
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-qt/qtcore:4 dev-qt/qtgui:4 zeromq? ( net-libs/cppzmq:0= )
+REQUIRED_USE=python_targets_python2_7 server? ( client ) test? ( server )
+SLOT=0
+SRC_URI=mirror://sourceforge/project/molequeue/molequeue/0.7.1/molequeue-0.7.1.tar.gz
+_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:cmake-utils src_configure:- src_compile:- src_test:- src_install:-
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diff --git a/metadata/md5-cache/sci-chemistry/molequeue-0.8.0 b/metadata/md5-cache/sci-chemistry/molequeue-0.8.0
new file mode 100644
index 000000000000..b57f9d43c4b3
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molequeue-0.8.0
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-qt/qtcore:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( net-libs/cppzmq:0= ) doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.7.2 test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost )
+DESCRIPTION=Abstract, manage and coordinate execution of tasks
+EAPI=5
+HOMEPAGE=http://www.openchemistry.org/OpenChemistry/project/molequeue.html
+IUSE=+client doc server test +zeromq python_targets_python2_7 test
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-qt/qtcore:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( net-libs/cppzmq:0= )
+REQUIRED_USE=python_targets_python2_7 server? ( client ) test? ( server )
+SLOT=0
+SRC_URI=https://github.com/OpenChemistry/molequeue/archive/0.8.0.tar.gz -> molequeue-0.8.0.tar.gz
+_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_configure:- src_compile:- src_test:- src_install:-
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diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r2 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r2
new file mode 100644
index 000000000000..96af217b19ea
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r2
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+DEFINED_PHASES=install prepare setup
+DEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo
+DESCRIPTION=Publication-quality molecular visualization package
+EAPI=4
+HOMEPAGE=http://hugin.ethz.ch/wuthrich/software/molmol/index.html
+KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux
+LICENSE=molmol
+RDEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo
+SLOT=0
+SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz
+_eclass_exported_funcs=pkg_setup:- src_prepare:- src_install:-
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+_md5_=e8c6cf092e900e6813ca56f42cf0c538
diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r3 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r3
new file mode 100644
index 000000000000..affcc72d198e
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r3
@@ -0,0 +1,13 @@
+DEFINED_PHASES=install prepare setup
+DEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo
+DESCRIPTION=Publication-quality molecular visualization package
+EAPI=4
+HOMEPAGE=http://hugin.ethz.ch/wuthrich/software/molmol/index.html
+KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux
+LICENSE=molmol
+RDEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo
+SLOT=0
+SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz
+_eclass_exported_funcs=pkg_setup:- src_prepare:- src_install:-
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diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r4 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r4
new file mode 100644
index 000000000000..c92aa677a13e
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r4
@@ -0,0 +1,13 @@
+DEFINED_PHASES=install prepare setup
+DEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg:0 x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo
+DESCRIPTION=Publication-quality molecular visualization package
+EAPI=5
+HOMEPAGE=http://hugin.ethz.ch/wuthrich/software/molmol/index.html
+KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux
+LICENSE=molmol
+RDEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg:0 x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo
+SLOT=0
+SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz
+_eclass_exported_funcs=pkg_setup:- src_prepare:- src_install:-
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diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r5 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r5
new file mode 100644
index 000000000000..bc8adfe13167
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r5
@@ -0,0 +1,13 @@
+DEFINED_PHASES=install prepare setup
+DEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg:0 x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo
+DESCRIPTION=Publication-quality molecular visualization package
+EAPI=5
+HOMEPAGE=http://hugin.ethz.ch/wuthrich/software/molmol/index.html
+KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux
+LICENSE=molmol
+RDEPEND=|| ( ( media-libs/mesa x11-libs/libGLw ) media-libs/mesa[motif] ) media-libs/libpng:0 media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg:0 x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo
+SLOT=0
+SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz
+_eclass_exported_funcs=pkg_setup:- src_prepare:- src_install:-
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diff --git a/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2 b/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2
new file mode 100644
index 000000000000..29a8a4268b28
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2
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+DEPEND=media-libs/freeglut media-libs/gd:2= media-libs/libpng:0= virtual/jpeg:0= || ( x11-libs/libXmu x11-libs/libXext x11-libs/libX11 )
+DESCRIPTION=Display molecular 3D structures, such as proteins, in both schematic and detailed representations
+EAPI=5
+HOMEPAGE=http://www.avatar.se/molscript/
+KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux
+LICENSE=glut molscript
+RDEPEND=media-libs/freeglut media-libs/gd:2= media-libs/libpng:0= virtual/jpeg:0= || ( x11-libs/libXmu x11-libs/libXext x11-libs/libX11 )
+RESTRICT=fetch
+SLOT=0
+SRC_URI=molscript-2.1.2.tar.gz
+_eclass_exported_funcs=src_prepare:- src_compile:- src_install:-
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diff --git a/metadata/md5-cache/sci-chemistry/molsketch-0.3.0 b/metadata/md5-cache/sci-chemistry/molsketch-0.3.0
new file mode 100644
index 000000000000..d208c046a72b
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molsketch-0.3.0
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+DEPEND=>=sci-chemistry/openbabel-2.2 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5 dev-util/ninja >=dev-util/cmake-3.7.2
+DESCRIPTION=A drawing tool for 2D molecular structures
+EAPI=5
+HOMEPAGE=http://molsketch.sourceforge.net/
+IUSE=test
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=>=sci-chemistry/openbabel-2.2 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5
+SLOT=0
+SRC_URI=mirror://sourceforge/project/molsketch/Molsketch/Lithium%200.3.0/Molsketch-0.3.0-src.tar.gz
+_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:-
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diff --git a/metadata/md5-cache/sci-chemistry/molsketch-0.4.1-r1 b/metadata/md5-cache/sci-chemistry/molsketch-0.4.1-r1
new file mode 100644
index 000000000000..0911bac648f1
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molsketch-0.4.1-r1
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+DEPEND=>=sci-chemistry/openbabel-2.2 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5 dev-util/ninja >=dev-util/cmake-3.7.2
+DESCRIPTION=A drawing tool for 2D molecular structures
+EAPI=6
+HOMEPAGE=http://molsketch.sourceforge.net/
+IUSE=test
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=>=sci-chemistry/openbabel-2.2 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5
+SLOT=0
+SRC_URI=mirror://sourceforge/project/molsketch/Molsketch/Beryllium-7%200.4.1/Molsketch-0.4.1-src.tar.gz
+_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:-
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diff --git a/metadata/md5-cache/sci-chemistry/mongochem-0.7.0-r1 b/metadata/md5-cache/sci-chemistry/mongochem-0.7.0-r1
new file mode 100644
index 000000000000..9b0ab96d6d52
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/mongochem-0.7.0-r1
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile configure install prepare test unpack
+DEPEND=dev-libs/boost[threads] dev-libs/mongo-cxx-driver sci-libs/avogadrolibs[qt4] sci-libs/chemkit sci-libs/vtk[qt4,rendering] sci-chemistry/molequeue dev-util/ninja >=dev-util/cmake-3.7.2
+DESCRIPTION=Application for managing large collections of chemical data
+EAPI=5
+HOMEPAGE=http://www.openchemistry.org/
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD
+RDEPEND=dev-libs/boost[threads] dev-libs/mongo-cxx-driver sci-libs/avogadrolibs[qt4] sci-libs/chemkit sci-libs/vtk[qt4,rendering] sci-chemistry/molequeue
+SLOT=0
+SRC_URI=https://github.com/OpenChemistry/mongochem/archive/df36ebce92024dd4fd1c70eb37eb84e4c51120ff.tar.gz -> mongochem-0.7.0.tar.gz
+_eclass_exported_funcs=src_unpack:vcs-snapshot src_prepare:cmake-utils src_configure:cmake-utils src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils
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diff --git a/metadata/md5-cache/sci-chemistry/mopac7-1.15 b/metadata/md5-cache/sci-chemistry/mopac7-1.15
new file mode 100644
index 000000000000..8744a1ac9882
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/mopac7-1.15
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare setup
+DEPEND=dev-libs/libf2c >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran
+DESCRIPTION=Autotooled, updated version of a powerful, fast semi-empirical package
+EAPI=4
+HOMEPAGE=https://sourceforge.net/projects/mopac7/
+IUSE=gmxmopac7 static-libs
+KEYWORDS=amd64 ppc x86 ~amd64-linux
+LICENSE=public-domain
+RDEPEND=dev-libs/libf2c virtual/fortran
+SLOT=0
+SRC_URI=http://www.bioinformatics.org/ghemical/download/current/mopac7-1.15.tar.gz http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f
+_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_configure:- src_compile:- src_install:-
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diff --git a/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1
new file mode 100644
index 000000000000..ac69ead058ee
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1
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+DEFINED_PHASES=compile install prepare setup
+DEPEND=dev-libs/libf2c >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran
+DESCRIPTION=Autotooled, updated version of a powerful, fast semi-empirical package
+EAPI=5
+HOMEPAGE=https://sourceforge.net/projects/mopac7/
+IUSE=gmxmopac7 static-libs
+KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux
+LICENSE=public-domain
+RDEPEND=dev-libs/libf2c virtual/fortran
+SLOT=0
+SRC_URI=http://www.bioinformatics.org/ghemical/download/current/mopac7-1.15.tar.gz http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f
+_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:-
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diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r1 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r1
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index 000000000000..14d2a17ce90e
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r1
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+DEFINED_PHASES=compile install postinst test unpack
+DEPEND=virtual/blas virtual/lapack tk? ( dev-lang/tk ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz )
+DESCRIPTION=The Massively Parallel Quantum Chemistry Program
+EAPI=0
+HOMEPAGE=http://www.mpqc.org/
+IUSE=doc threads tk
+KEYWORDS=amd64 ppc ppc64 x86
+LICENSE=GPL-2
+RDEPEND=virtual/blas virtual/lapack tk? ( dev-lang/tk )
+SLOT=0
+SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2
+_eclass_exported_funcs=pkg_postinst:- src_unpack:- src_compile:- src_test:- src_install:-
+_md5_=e04225676a63996d2caf2cde0173a55f
diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r2 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r2
new file mode 100644
index 000000000000..313986c002c2
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r2
@@ -0,0 +1,14 @@
+DEFINED_PHASES=configure install postinst prepare test
+DEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz ) >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+DESCRIPTION=The Massively Parallel Quantum Chemistry Program
+EAPI=2
+HOMEPAGE=http://www.mpqc.org/
+IUSE=doc mpi threads tk
+KEYWORDS=~amd64 ~ppc ~ppc64 x86
+LICENSE=GPL-2
+RDEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk )
+SLOT=0
+SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2
+_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_configure:- src_test:- src_install:-
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diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r3 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r3
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index 000000000000..5509864dfaa7
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+DEFINED_PHASES=compile configure install postinst prepare test
+DEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz ) >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+DESCRIPTION=The Massively Parallel Quantum Chemistry Program
+EAPI=4
+HOMEPAGE=http://www.mpqc.org/
+IUSE=doc mpi threads static-libs tk
+KEYWORDS=amd64 ppc ppc64 x86
+LICENSE=GPL-2
+RDEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk )
+SLOT=0
+SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2
+_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_configure:- src_compile:autotools-utils src_test:- src_install:-
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diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4
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index 000000000000..94f5ba4b3d84
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+DEFINED_PHASES=configure install postinst prepare test
+DEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk:0 ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz ) >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+DESCRIPTION=The Massively Parallel Quantum Chemistry Program
+EAPI=6
+HOMEPAGE=http://www.mpqc.org/
+IUSE=doc mpi threads static-libs tk
+KEYWORDS=~amd64 ~ppc ~ppc64 ~x86
+LICENSE=GPL-2
+RDEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk:0 )
+SLOT=0
+SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2
+_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_configure:- src_test:- src_install:-
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index 000000000000..70945ad7f57c
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+++ b/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1
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+DESCRIPTION=MSMS allows to compute very efficiently triangulations of Solvent Excluded Surfaces
+EAPI=4
+HOMEPAGE=http://mgl.scripps.edu/people/sanner/html/msms_home.html
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=MSMS
+RESTRICT=fetch
+SLOT=0
+SRC_URI=amd64? ( msms_i86_64Linux2_2.6.1.tar.gz ) x86? ( msms_i86Linux2_2.6.1.tar.gz )
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diff --git a/metadata/md5-cache/sci-chemistry/mustang-3.2.1 b/metadata/md5-cache/sci-chemistry/mustang-3.2.1
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index 000000000000..d7a5e8f3860d
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+DEFINED_PHASES=compile install postinst prepare test
+DESCRIPTION=MUltiple STructural AligNment AlGorithm
+EAPI=4
+HOMEPAGE=http://www.csse.monash.edu.au/~karun/Site/mustang.html
+KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux
+LICENSE=BSD
+SLOT=0
+SRC_URI=http://www.csse.unimelb.edu.au/~arun/mustang/mustang_v3.2.1.tgz
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+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD
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+DEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0= app-shells/tcsh
+DESCRIPTION=A powerful and highly parallelized molecular dynamics code
+EAPI=5
+HOMEPAGE=http://www.ks.uiuc.edu/Research/namd/
+KEYWORDS=~amd64
+LICENSE=namd
+RDEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0=
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+DESCRIPTION=A powerful and highly parallelized molecular dynamics code
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+HOMEPAGE=http://www.ks.uiuc.edu/Research/namd/
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@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=test? ( dev-python/matplotlib[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/nose[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)]
+DESCRIPTION=A module for working with NMR data in Python
+EAPI=5
+HOMEPAGE=http://nmrglue.com/
+IUSE=test python_targets_python2_7 python_targets_python3_4 python_targets_python3_5 python_targets_python3_6
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD
+RDEPEND=dev-python/matplotlib[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_4 python_targets_python3_5 python_targets_python3_6 )
+SLOT=0
+SRC_URI=https://github.com/jjhelmus/nmrglue/releases/download/v0.5/nmrglue-0.5.tar.gz
+_eclass_exported_funcs=src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=f8e983d59085ca640e37002c4bc3a902
diff --git a/metadata/md5-cache/sci-chemistry/numbat-0.999-r1 b/metadata/md5-cache/sci-chemistry/numbat-0.999-r1
new file mode 100644
index 000000000000..31e64cae0c5d
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/numbat-0.999-r1
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=gnome-base/libglade:2.0 sci-libs/gsl x11-libs/gtk+:2 virtual/pkgconfig >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+DESCRIPTION=new user-friendly method built for automatic dX-tensor determination
+EAPI=5
+HOMEPAGE=http://www.nmr.chem.uu.nl/~christophe/numbat.html
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-3
+RDEPEND=gnome-base/libglade:2.0 sci-libs/gsl x11-libs/gtk+:2 sci-chemistry/molmol sci-chemistry/pymol sci-visualization/gnuplot
+SLOT=0
+SRC_URI=http://comp-bio.anu.edu.au/private/downloads/Numbat/Numbat-0.999.tar.gz
+_eclass_exported_funcs=src_prepare:- src_configure:autotools-utils src_compile:autotools-utils src_test:autotools-utils src_install:-
+_eclasses_=autotools	7027963e8e8cc12c91117bdb9225dc26	autotools-utils	5a4611dfba155b1659528663fad4cd5e	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	libtool	0081a71a261724730ec4c248494f044d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=3b685285507fad73053fa0418f660969
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-2.3.2-r1 b/metadata/md5-cache/sci-chemistry/openbabel-2.3.2-r1
new file mode 100644
index 000000000000..a0c2f3dfbd99
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/openbabel-2.3.2-r1
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install postinst prepare setup test
+DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0[X] ) >=dev-util/cmake-2.4.8 doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.7.2
+DESCRIPTION=Interconverts file formats used in molecular modeling
+EAPI=5
+HOMEPAGE=http://openbabel.sourceforge.net/
+IUSE=doc openmp test wxwidgets
+KEYWORDS=amd64 ~arm ppc x86 ~amd64-linux ~x86-linux ~ppc-macos
+LICENSE=GPL-2
+RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0[X] )
+SLOT=0
+SRC_URI=mirror://sourceforge/openbabel/openbabel-2.3.2.tar.gz
+_eclass_exported_funcs=pkg_postinst:- pkg_setup:- src_prepare:- src_configure:- src_compile:cmake-utils src_test:- src_install:-
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0	wxwidgets	04e063b0eff26daaea83d859dd9d6e05
+_md5_=1b0552afe485143773ed54770dffe635
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-2.4.1 b/metadata/md5-cache/sci-chemistry/openbabel-2.4.1
new file mode 100644
index 000000000000..46104fa39736
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/openbabel-2.4.1
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install postinst prepare setup test
+DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0[X] ) >=dev-util/cmake-2.4.8 doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.7.2
+DESCRIPTION=Interconverts file formats used in molecular modeling
+EAPI=6
+HOMEPAGE=http://openbabel.sourceforge.net/
+IUSE=doc openmp test wxwidgets
+KEYWORDS=amd64 ~arm ~ppc ~x86 ~amd64-linux ~x86-linux ~ppc-macos
+LICENSE=GPL-2
+RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0[X] )
+SLOT=0/5.0.0
+SRC_URI=mirror://sourceforge/openbabel/openbabel-2.4.1.tar.gz
+_eclass_exported_funcs=pkg_postinst:- pkg_setup:- src_prepare:- src_configure:- src_compile:cmake-utils src_test:- src_install:-
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0	wxwidgets	04e063b0eff26daaea83d859dd9d6e05
+_md5_=75922eb4007e26e74b184308f948a998
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-perl-2.3.2 b/metadata/md5-cache/sci-chemistry/openbabel-perl-2.3.2
new file mode 100644
index 000000000000..006d6ac029e4
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/openbabel-perl-2.3.2
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile configure install prepare test unpack
+DEPEND=dev-lang/perl:= ~sci-chemistry/openbabel-2.3.2 >=dev-util/cmake-2.4.8 >=dev-lang/swig-2 sys-devel/make >=dev-util/cmake-3.7.2 dev-lang/perl:=[-build(-)]
+DESCRIPTION=Perl bindings for OpenBabel
+EAPI=5
+HOMEPAGE=http://openbabel.sourceforge.net/
+KEYWORDS=amd64 ~arm ppc x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=dev-lang/perl:= ~sci-chemistry/openbabel-2.3.2 dev-lang/perl:=[-build(-)]
+SLOT=0
+SRC_URI=mirror://sourceforge/openbabel/openbabel-2.3.2.tar.gz
+_eclass_exported_funcs=src_unpack:perl-module src_prepare:- src_configure:- src_compile:- src_test:- src_install:-
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	perl-functions	01e8c68d5a528bbcda4d3c60205983df	perl-module	863b35d127db98823d439f8d73c2d011	toolchain-funcs	185a06792159ca143528e7010368e8af	unpacker	f40f7b4bd5aa88c2a4ba7b0d1e0ded70	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=6cc17c0b2688e31440e2f5eea2332b1e
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-perl-2.4.1 b/metadata/md5-cache/sci-chemistry/openbabel-perl-2.4.1
new file mode 100644
index 000000000000..bb8da8b56763
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/openbabel-perl-2.4.1
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=dev-lang/perl:= ~sci-chemistry/openbabel-2.4.1 >=dev-util/cmake-2.4.8 >=dev-lang/swig-2 sys-devel/make >=dev-util/cmake-3.7.2 dev-lang/perl:=
+DESCRIPTION=Perl bindings for OpenBabel
+EAPI=6
+HOMEPAGE=http://openbabel.sourceforge.net/
+KEYWORDS=amd64 ~arm ~ppc ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=dev-lang/perl:= ~sci-chemistry/openbabel-2.4.1 dev-lang/perl:=
+SLOT=0/5
+SRC_URI=mirror://sourceforge/openbabel/openbabel-2.4.1.tar.gz
+_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:- src_test:- src_install:-
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	perl-functions	01e8c68d5a528bbcda4d3c60205983df	perl-module	863b35d127db98823d439f8d73c2d011	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=348de26d11955d191b39798ff0239611
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-python-2.3.2 b/metadata/md5-cache/sci-chemistry/openbabel-python-2.3.2
new file mode 100644
index 000000000000..36df441dd1b5
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/openbabel-python-2.3.2
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] ~sci-chemistry/openbabel-2.3.2 sys-libs/zlib >=dev-lang/swig-2 sys-devel/make >=dev-util/cmake-3.7.2
+DESCRIPTION=Python bindings for OpenBabel (including Pybel)
+EAPI=5
+HOMEPAGE=http://openbabel.sourceforge.net/
+IUSE=python_targets_python2_7 python_targets_python3_4
+KEYWORDS=amd64 ~arm ppc x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-)] ~sci-chemistry/openbabel-2.3.2 sys-libs/zlib
+REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_4 )
+SLOT=0
+SRC_URI=mirror://sourceforge/openbabel/openbabel-2.3.2.tar.gz
+_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:- src_test:- src_install:-
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=c28ef3ad1dcbf383cd416343f32c47fe
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-python-2.4.1 b/metadata/md5-cache/sci-chemistry/openbabel-python-2.4.1
new file mode 100644
index 000000000000..e4f40d66bb3f
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/openbabel-python-2.4.1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] ~sci-chemistry/openbabel-2.4.1 sys-libs/zlib >=dev-lang/swig-2 sys-devel/make >=dev-util/cmake-3.7.2
+DESCRIPTION=Python bindings for OpenBabel (including Pybel)
+EAPI=6
+HOMEPAGE=http://openbabel.sourceforge.net/
+IUSE=python_targets_python2_7 python_targets_python3_4 python_targets_python3_5 python_targets_python3_6
+KEYWORDS=amd64 ~arm ~ppc ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] ~sci-chemistry/openbabel-2.4.1 sys-libs/zlib
+REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_4 python_targets_python3_5 python_targets_python3_6 )
+SLOT=0/5
+SRC_URI=mirror://sourceforge/openbabel/openbabel-2.4.1.tar.gz
+_eclass_exported_funcs=src_prepare:- src_configure:- src_compile:- src_test:- src_install:-
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=119b5ff61c6dd729069cd6a13a487b0f
diff --git a/metadata/md5-cache/sci-chemistry/ortep3-1.0.3-r1 b/metadata/md5-cache/sci-chemistry/ortep3-1.0.3-r1
new file mode 100644
index 000000000000..0db54e0f0a6c
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/ortep3-1.0.3-r1
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile install setup unpack
+DEPEND=sci-libs/pgplot x11-libs/libX11 virtual/fortran
+DESCRIPTION=Thermal ellipsoid plot program for crystal structure illustrations
+EAPI=4
+HOMEPAGE=http://www.ornl.gov/sci/ortep/
+KEYWORDS=~amd64 ~x86
+LICENSE=public-domain
+RDEPEND=sci-libs/pgplot x11-libs/libX11 virtual/fortran
+SLOT=0
+SRC_URI=ftp://ftp.ornl.gov/pub/ortep/src/ortep.f
+_eclass_exported_funcs=pkg_setup:fortran-2 src_unpack:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=dba669fa4ed64bafdc79c126c520526d
diff --git a/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1 b/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1
new file mode 100644
index 000000000000..945bc6406492
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare test unpack
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=Python module for structural bioinformatics
+EAPI=6
+HOMEPAGE=http://p3d.fufezan.net/
+IUSE=examples python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-3
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=https://nodeload.github.com/fu/p3d/tarball/0.4.3 -> p3d-0.4.3.tar.gz
+_eclass_exported_funcs=src_unpack:vcs-snapshot src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:-
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	vcs-snapshot	03289f51c769cf409d200d2d628cdd6e	versionator	c80ccf29e90adea7c5cae94b42eb76d0	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=9e3832010a5347eb6c9e4bba5441e9a5
diff --git a/metadata/md5-cache/sci-chemistry/p3d-9999 b/metadata/md5-cache/sci-chemistry/p3d-9999
new file mode 100644
index 000000000000..25b5bc1f03b9
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/p3d-9999
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile configure install prepare test unpack
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-vcs/git-1.8.2.1
+DESCRIPTION=Python module for structural bioinformatics
+EAPI=6
+HOMEPAGE=http://p3d.fufezan.net/
+IUSE=examples python_targets_python2_7
+LICENSE=GPL-3
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+_eclass_exported_funcs=src_unpack:git-r3 src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:-
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	git-r3	78651c07ca1c1373bf81545d39eb9769	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=588877767f6990c41eead2c39b098d8b
diff --git a/metadata/md5-cache/sci-chemistry/parassign-20130522 b/metadata/md5-cache/sci-chemistry/parassign-20130522
new file mode 100644
index 000000000000..0e305dfc8daf
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/parassign-20130522
@@ -0,0 +1,16 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/cython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/scientificpython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=Assign protein nuclei solely on the basis of pseudocontact shifts (PCS)
+EAPI=5
+HOMEPAGE=http://protchem.lic.leidenuniv.nl/software/parassign/registration
+IUSE=python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=Apache-2.0
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 ) || ( python_targets_python2_7 )
+RESTRICT=fetch
+SLOT=0
+SRC_URI=PARAssign_Linux_x64_86.tgz
+_eclass_exported_funcs=src_prepare:- src_configure:distutils-r1 src_compile:- src_test:distutils-r1 src_install:-
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=799a8d9a4cdb92870a2de2d603db67e9
diff --git a/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1 b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1
new file mode 100644
index 000000000000..364ea6df3b09
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile install prepare setup
+DEPEND=python_single_target_pypy? ( >=virtual/pypy-5:0= ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_pypy(-)?,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_pypy(+)?,python_single_target_python2_7(+)?] virtual/fortran
+DESCRIPTION=Tools for manipulating and doing calculations on wwPDB macromolecule structure files
+EAPI=5
+HOMEPAGE=https://github.com/harmslab/pdbtools
+IUSE=python_targets_pypy python_targets_python2_7 python_single_target_pypy python_single_target_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-3
+RDEPEND=python_single_target_pypy? ( >=virtual/pypy-5:0= ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_pypy(-)?,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_pypy(+)?,python_single_target_python2_7(+)?] virtual/fortran
+REQUIRED_USE=^^ ( python_single_target_pypy python_single_target_python2_7 ) python_single_target_pypy? ( python_targets_pypy ) python_single_target_python2_7? ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=https://pdb-tools.googlecode.com/files/pdbTools_0.2.1.tar.gz
+_eclass_exported_funcs=pkg_setup:- src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=1351edf19d2820e89574c5ff43489439
diff --git a/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2 b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2
new file mode 100644
index 000000000000..f360f79e470b
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile install prepare setup
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] virtual/fortran
+DESCRIPTION=Tools for manipulating and doing calculations on wwPDB macromolecule structure files
+EAPI=5
+HOMEPAGE=https://github.com/harmslab/pdbtools
+IUSE=python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-3
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] virtual/fortran
+REQUIRED_USE=python_targets_python2_7
+SLOT=0
+SRC_URI=https://pdb-tools.googlecode.com/files/pdbTools_0.2.1.tar.gz
+_eclass_exported_funcs=pkg_setup:- src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=f9f71182abfaac381b3fc033e7a068f5
diff --git a/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1 b/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1
new file mode 100644
index 000000000000..9a13a3b8e359
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/openbabel-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] opal? ( dev-python/zsi[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) pdb2pka? ( sci-chemistry/apbs[python_targets_python2_7(-)?,-python_single_target_python2_7(-),-mpi] ) dev-lang/swig:0 dev-util/scons virtual/fortran
+DESCRIPTION=An automated pipeline for performing Poisson-Boltzmann electrostatics calculations
+EAPI=5
+HOMEPAGE=http://www.poissonboltzmann.org/
+IUSE=doc examples opal +pdb2pka python_targets_python2_7
+KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux
+LICENSE=BSD
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/openbabel-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] opal? ( dev-python/zsi[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) pdb2pka? ( sci-chemistry/apbs[python_targets_python2_7(-)?,-python_single_target_python2_7(-),-mpi] ) virtual/fortran
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=https://github.com/Electrostatics/apbs-pdb2pqr/releases/download/pdb2pqr-1.9.0/pdb2pqr-src-1.9.0.tar.gz
+_eclass_exported_funcs=pkg_setup:- src_prepare:- src_configure:- src_compile:- src_test:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	scons-utils	fcace052aef60e6b0eb3023c26aa585a	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=a8cfc7a980b8933a75f09a8a76d19bdc
diff --git a/metadata/md5-cache/sci-chemistry/pdbcat-1.3 b/metadata/md5-cache/sci-chemistry/pdbcat-1.3
new file mode 100644
index 000000000000..a9e2a3f500f4
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pdbcat-1.3
@@ -0,0 +1,12 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=sys-devel/make >=dev-util/cmake-3.7.2
+DESCRIPTION=Manipulate and process PDB files using tools such as Perl, awk, etc
+EAPI=6
+HOMEPAGE=http://www.ks.uiuc.edu/Development/MDTools/pdbcat/
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=free-noncomm
+SLOT=0
+SRC_URI=http://www.ks.uiuc.edu/Development/MDTools/pdbcat/files/pdbcat-1.3.tar.gz
+_eclass_exported_funcs=src_prepare:- src_configure:cmake-utils src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=4ebe1185f44e21cb0c7d7cbb291a8b30
diff --git a/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504 b/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504
new file mode 100644
index 000000000000..c9f11dc28dc5
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504
@@ -0,0 +1,11 @@
+DEFINED_PHASES=install
+DESCRIPTION=Convert atom names for common amino acids and nucleic acid bases from PDB format to CNS or back
+EAPI=4
+HOMEPAGE=http://www.mybiosoftware.com/3d-molecular-model/314/
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD
+RDEPEND=dev-lang/perl
+SLOT=0
+SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pdbcns.2.0.010504.perl.tgz
+_eclass_exported_funcs=src_install:-
+_md5_=f167b7636f3008d03c5b5a4fa27d414e
diff --git a/metadata/md5-cache/sci-chemistry/pdbmat-3.89 b/metadata/md5-cache/sci-chemistry/pdbmat-3.89
new file mode 100644
index 000000000000..05f51faaa565
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pdbmat-3.89
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=sys-devel/make >=dev-util/cmake-3.7.2 virtual/fortran
+DESCRIPTION=Calculate Tirion's model from pdb structures
+EAPI=6
+HOMEPAGE=http://ecole.modelisation.free.fr/modes.html
+IUSE=examples
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=CeCILL-2
+RDEPEND=virtual/fortran
+SLOT=0
+SRC_URI=http://ecole.modelisation.free.fr/enm2011.tar.gz -> pdbmat-3.89.tar.gz
+_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=5de2f612591221cdc5d57106eab44a2a
diff --git a/metadata/md5-cache/sci-chemistry/platon-20151001 b/metadata/md5-cache/sci-chemistry/platon-20151001
new file mode 100644
index 000000000000..f85951042cfc
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/platon-20151001
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile install setup unpack
+DEPEND=x11-libs/libX11 virtual/fortran
+DESCRIPTION=Versatile, SHELX-97 compatible, multipurpose crystallographic tool
+EAPI=5
+HOMEPAGE=http://www.cryst.chem.uu.nl/platon/
+IUSE=examples
+KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux
+LICENSE=free-noncomm
+RDEPEND=x11-libs/libX11 virtual/fortran
+RESTRICT=mirror
+SLOT=0
+SRC_URI=http://www.cryst.chem.uu.nl/xraysoft/unix/platon.tar.gz -> platon-20151001.tar.gz
+_eclass_exported_funcs=pkg_setup:fortran-2 src_unpack:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=111841d4573a0dbdc77efaa5e6d9c141
diff --git a/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.19 b/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.19
new file mode 100644
index 000000000000..aec644ecb965
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.19
@@ -0,0 +1,13 @@
+DEFINED_PHASES=install postinst prepare
+DEPEND=dev-libs/glib:2 media-libs/freeglut media-libs/giflib >=media-libs/libpng-1.4 sci-libs/gts sys-libs/zlib virtual/glu virtual/jpeg virtual/opengl x11-libs/libX11
+DESCRIPTION=Modified molscript that uses POV-Ray, does thermal ellipsoids, and more
+EAPI=4
+HOMEPAGE=https://sites.google.com/site/timfenn/povscript
+KEYWORDS=~amd64 ~ppc ~x86
+LICENSE=glut molscript
+RDEPEND=dev-libs/glib:2 media-libs/freeglut media-libs/giflib >=media-libs/libpng-1.4 sci-libs/gts sys-libs/zlib virtual/glu virtual/jpeg virtual/opengl x11-libs/libX11
+SLOT=0
+SRC_URI=https://sites.google.com/site/timfenn/povscript/molscript-2.1.2pov2.19.tar.gz
+_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=d87e69cd4cc5cf8349e4703b0a4e0c95
diff --git a/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.20 b/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.20
new file mode 100644
index 000000000000..d1b14bfa21e2
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.20
@@ -0,0 +1,13 @@
+DEFINED_PHASES=install postinst prepare
+DEPEND=dev-libs/glib:2 media-libs/freeglut media-libs/giflib >=media-libs/libpng-1.4:0= sci-libs/gts sys-libs/zlib virtual/glu virtual/jpeg:0 virtual/opengl x11-libs/libX11
+DESCRIPTION=Modified molscript that uses POV-Ray, does thermal ellipsoids, and more
+EAPI=5
+HOMEPAGE=https://sites.google.com/site/timfenn/povscript
+KEYWORDS=~amd64 ~ppc ~x86
+LICENSE=glut molscript
+RDEPEND=dev-libs/glib:2 media-libs/freeglut media-libs/giflib >=media-libs/libpng-1.4:0= sci-libs/gts sys-libs/zlib virtual/glu virtual/jpeg:0 virtual/opengl x11-libs/libX11
+SLOT=0
+SRC_URI=https://sites.google.com/site/timfenn/povscript/molscript-2.1.2pov2.20.tar.gz
+_eclass_exported_funcs=pkg_postinst:- src_prepare:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=0a335f1e70d94904f0d4666c06852abf
diff --git a/metadata/md5-cache/sci-chemistry/prekin-6.51.081122-r1 b/metadata/md5-cache/sci-chemistry/prekin-6.51.081122-r1
new file mode 100644
index 000000000000..03b0d3e2e7da
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/prekin-6.51.081122-r1
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile install prepare
+DEPEND=x11-libs/libXext x11-libs/libXmu x11-libs/libX11 x11-libs/libXt X? ( >=x11-libs/motif-2.3:0 )
+DESCRIPTION=Prepares molecular kinemages (input files for Mage & KiNG) from PDB-format coordinate files
+EAPI=2
+HOMEPAGE=http://kinemage.biochem.duke.edu/software/prekin.php
+IUSE=X
+KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux
+LICENSE=richardson
+RDEPEND=x11-libs/libXext x11-libs/libXmu x11-libs/libX11 x11-libs/libXt X? ( >=x11-libs/motif-2.3:0 )
+SLOT=0
+SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/prekin/prekin.6.51.081122.src.tgz
+_eclass_exported_funcs=src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=74da56bfd665dc0e2e02f09683a31550
diff --git a/metadata/md5-cache/sci-chemistry/probe-2.13.110909 b/metadata/md5-cache/sci-chemistry/probe-2.13.110909
new file mode 100644
index 000000000000..365e9510fe4e
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/probe-2.13.110909
@@ -0,0 +1,12 @@
+DEFINED_PHASES=install prepare
+DEPEND=app-arch/unzip
+DESCRIPTION=Evaluates atomic packing within or between molecules
+EAPI=4
+HOMEPAGE=http://kinemage.biochem.duke.edu/software/probe.php
+KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos
+LICENSE=richardson
+SLOT=0
+SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/probe/probe.2.13.110909.src.zip
+_eclass_exported_funcs=src_prepare:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=0a6ad068c88c168f03f956d66a0dae2b
diff --git a/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3
new file mode 100644
index 000000000000..0d76312c0e1f
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile install setup
+DEPEND=app-shells/tcsh virtual/fortran
+DESCRIPTION=Checks the stereochemical quality of a protein structure
+EAPI=6
+HOMEPAGE=http://www.biochem.ucl.ac.uk/~roman/procheck/procheck.html
+IUSE=doc
+KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux
+LICENSE=procheck
+RDEPEND=app-shells/tcsh virtual/fortran
+RESTRICT=fetch
+SLOT=0
+SRC_URI=procheck-3.5.4.tar.gz procheck-3.5.4-README doc? ( procheck-3.5.4-manual.tar.gz )
+_eclass_exported_funcs=pkg_setup:fortran-2 src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=712cf16ac2d7b8f289d352d7444dd58e
diff --git a/metadata/md5-cache/sci-chemistry/prodecomp-3.0-r1 b/metadata/md5-cache/sci-chemistry/prodecomp-3.0-r1
new file mode 100644
index 000000000000..0eeeb297a46e
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/prodecomp-3.0-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=install setup
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)]
+DESCRIPTION=Decomposition-based analysis of NMR projections
+EAPI=5
+HOMEPAGE=http://www.lundberg.gu.se/nmr/software.php?program=PRODECOMP
+IUSE=examples python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)]
+REQUIRED_USE=python_targets_python2_7
+SLOT=0
+SRC_URI=mirror://gentoo/prodecomp-3.0.tar.bz2
+_eclass_exported_funcs=pkg_setup:python-single-r1 src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=a633166bb498b3f820ae0e4896d0f606
diff --git a/metadata/md5-cache/sci-chemistry/prody-1.6 b/metadata/md5-cache/sci-chemistry/prody-1.6
new file mode 100644
index 000000000000..03c8e61a0686
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/prody-1.6
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+DEFINED_PHASES=compile configure install prepare test
+DEPEND=dev-python/ipython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/numpy-1.7[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyparsing[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] test? ( dev-python/nose[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=Protein Dynamics Analysis
+EAPI=5
+HOMEPAGE=http://prody.csb.pitt.edu/ https://github.com/prody/ProDy
+IUSE=test python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=MIT
+RDEPEND=dev-python/ipython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/numpy-1.7[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyparsing[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=https://github.com/prody/ProDy/archive/v1.6.tar.gz -> prody-1.6.tar.gz
+_eclass_exported_funcs=src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=ec3075eb7c34897bec8cd637a3b26c45
diff --git a/metadata/md5-cache/sci-chemistry/propka-3.1_p140511 b/metadata/md5-cache/sci-chemistry/propka-3.1_p140511
new file mode 100644
index 000000000000..7a11c1d466dc
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/propka-3.1_p140511
@@ -0,0 +1,16 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=dev-python/setuptools[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=Prediction of the pKa values of ionizable groups in proteins and protein-ligand complexes
+EAPI=5
+HOMEPAGE=http://propka.ki.ku.dk/
+IUSE=python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=all-rights-reserved
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+RESTRICT=mirror bindist
+SLOT=0
+SRC_URI=https://dev.gentoo.org/~jlec/distfiles/propka-3.1_p140511.tar.xz
+_eclass_exported_funcs=src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=ebb8e38b8268a314f0aedc878dc74b59
diff --git a/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2
new file mode 100644
index 000000000000..1cb0e510e55c
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=!sci-visualization/extrema virtual/blas virtual/lapack >=sci-libs/libint-1.1.4:1 virtual/pkgconfig dev-util/byacc test? ( dev-lang/perl ) >=app-portage/elt-patches-20170422 virtual/fortran
+DESCRIPTION=Suite for ab initio quantum chemistry computing various molecular properties
+EAPI=4
+HOMEPAGE=http://www.psicode.org/
+IUSE=static-libs test
+KEYWORDS=amd64 x86
+LICENSE=GPL-2
+RDEPEND=!sci-visualization/extrema virtual/blas virtual/lapack >=sci-libs/libint-1.1.4:1 virtual/fortran
+SLOT=0
+SRC_URI=mirror://sourceforge/psicode/psi-3.4.0.tar.gz
+_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_configure:- src_compile:- src_test:- src_install:-
+_eclasses_=autotools	7027963e8e8cc12c91117bdb9225dc26	autotools-utils	5a4611dfba155b1659528663fad4cd5e	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	libtool	0081a71a261724730ec4c248494f044d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=5edc91712c391640ba4e48fcb6944fee
diff --git a/metadata/md5-cache/sci-chemistry/pymol-1.8.4.0-r1 b/metadata/md5-cache/sci-chemistry/pymol-1.8.4.0-r1
new file mode 100644
index 000000000000..f2664ac61dfd
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pymol-1.8.4.0-r1
@@ -0,0 +1,16 @@
+DEFINED_PHASES=compile configure install postinst postrm prepare test
+DEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] media-libs/freeglut media-libs/freetype:2 media-libs/glew:0= media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib virtual/python-pmw[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] !sci-chemistry/pymol-apbs-plugin[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] web? ( !dev-python/webpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=A Python-extensible molecular graphics system
+EAPI=6
+HOMEPAGE=http://www.pymol.org/
+IUSE=web python_targets_python2_7
+KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos
+LICENSE=PSF-2.2
+RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] media-libs/freeglut media-libs/freetype:2 media-libs/glew:0= media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib virtual/python-pmw[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] !sci-chemistry/pymol-apbs-plugin[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] web? ( !dev-python/webpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+RESTRICT=mirror
+SLOT=0
+SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pymol-1.8.4.0.png.xz mirror://sourceforge/project/pymol/pymol/1.8/pymol-v1.8.4.0.tar.bz2
+_eclass_exported_funcs=pkg_postrm:- pkg_postinst:- src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	fdo-mime	21ef5adf81836863efa968f2a25cff64	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=d4c73ac82931eedcc71fd1708929a372
diff --git a/metadata/md5-cache/sci-chemistry/pymol-1.8.6.0 b/metadata/md5-cache/sci-chemistry/pymol-1.8.6.0
new file mode 100644
index 000000000000..5af79bb25e9f
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pymol-1.8.6.0
@@ -0,0 +1,16 @@
+DEFINED_PHASES=compile configure install postinst postrm prepare test
+DEPEND=dev-libs/msgpack[cxx] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] media-libs/freeglut media-libs/freetype:2 media-libs/glew:0= media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib virtual/python-pmw[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] !sci-chemistry/pymol-apbs-plugin[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] web? ( !dev-python/webpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=A Python-extensible molecular graphics system
+EAPI=6
+HOMEPAGE=http://www.pymol.org/
+IUSE=web python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos
+LICENSE=PSF-2.2
+RDEPEND=dev-libs/msgpack[cxx] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] media-libs/freeglut media-libs/freetype:2 media-libs/glew:0= media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib virtual/python-pmw[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] !sci-chemistry/pymol-apbs-plugin[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] web? ( !dev-python/webpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+RESTRICT=mirror
+SLOT=0
+SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pymol-1.8.4.0.png.xz mirror://sourceforge/project/pymol/pymol/1.8/pymol-v1.8.6.0.tar.bz2
+_eclass_exported_funcs=pkg_postrm:- pkg_postinst:- src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	fdo-mime	21ef5adf81836863efa968f2a25cff64	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=657fbebc8c3871a98238d2a848552252
diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-bni-tools-0.27 b/metadata/md5-cache/sci-chemistry/pymol-plugins-bni-tools-0.27
new file mode 100644
index 000000000000..e3aef38fe44a
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-bni-tools-0.27
@@ -0,0 +1,15 @@
+DEFINED_PHASES=install
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] app-arch/unzip
+DESCRIPTION=Gives Pymol additional functionalities and presets to the PyMOL GUI
+EAPI=5
+HOMEPAGE=http://bni-tools.sourceforge.net/
+IUSE=python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=CNRI
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=mirror://sourceforge/bni-tools/bni-tools/bni-tools-0.27/bni-tools-027.zip
+_eclass_exported_funcs=src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=26e80f9cc26451b29a4f8ca04045008b
diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2 b/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2
new file mode 100644
index 000000000000..d4f26b428fd0
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2
@@ -0,0 +1,16 @@
+DEFINED_PHASES=install
+DEPEND=app-arch/unzip python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=Calculation of pathways of proteins from buried cavities to outside solvent
+EAPI=5
+HOMEPAGE=http://loschmidt.chemi.muni.cz/caver/
+IUSE=python_targets_python2_7 elibc_FreeBSD
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=CAVER
+RDEPEND=>=virtual/jre-1.6 sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+RESTRICT=fetch
+SLOT=0
+SRC_URI=Caver2_1_2_pymol_plugin.zip
+_eclass_exported_funcs=src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	java-utils-2	1971a6927fcd7ec839f7e12b28a24bdd	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=ea9626bbd9e0bdbb979e5d6058e8c5f5
diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-dssp-110430-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-dssp-110430-r1
new file mode 100644
index 000000000000..f8a767a336d5
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-dssp-110430-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=install prepare
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=DSSP Plugin for PyMOL
+EAPI=5
+HOMEPAGE=http://www.biotec.tu-dresden.de/~hongboz/dssp_pymol/dssp_pymol.html
+IUSE=python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD pymol
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/dssp sci-biology/stride sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pymol-plugins-dssp-110430.py.xz
+_eclass_exported_funcs=src_prepare:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=79fddf7d3218a4a1abda0a907031f6c7
diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-2.0.7 b/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-2.0.7
new file mode 100644
index 000000000000..60ca2455d376
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-dynamics-2.0.7
@@ -0,0 +1,15 @@
+DEFINED_PHASES=install
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/prody[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=Molecular dynamics in Pymol
+EAPI=6
+HOMEPAGE=https://github.com/tomaszmakarewicz/Dynamics
+IUSE=python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-3
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/prody[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=https://github.com/tomaszmakarewicz/Dynamics/archive/v2.0.7.tar.gz -> pymol-plugins-dynamics-2.0.7.tar.gz
+_eclass_exported_funcs=src_install:-
+_eclasses_=multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=626974d8e11dfbb3f90a248241b45aee
diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-emovie-1.0.4 b/metadata/md5-cache/sci-chemistry/pymol-plugins-emovie-1.0.4
new file mode 100644
index 000000000000..1e57990eadf1
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-emovie-1.0.4
@@ -0,0 +1,15 @@
+DEFINED_PHASES=install prepare
+DEPEND=app-arch/unzip
+DESCRIPTION=PyMOL plugin for convinient movie creation
+EAPI=5
+HOMEPAGE=http://www.weizmann.ac.il/ISPC/eMovie.html
+IUSE=python_targets_python2_7
+KEYWORDS=~x86 ~amd64 ~x86-linux ~amd64-linux
+LICENSE=GPL-2
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >sci-chemistry/pymol-0.99[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=http://www.weizmann.ac.il/ISPC/eMovie_package.zip
+_eclass_exported_funcs=src_prepare:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=990ac19bca204dd80eea16ac13567dfa
diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-msms-100415-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-msms-100415-r1
new file mode 100644
index 000000000000..d55f07ac8dc1
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-msms-100415-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=install prepare unpack
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/msms-bin sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=GUI for MSMS and displaying its results in PyMOL
+EAPI=5
+HOMEPAGE=http://www.biotec.tu-dresden.de/~hongboz/msms_pymol/msms_pymol.html
+IUSE=python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD pymol
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/msms-bin sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=http://www.biotec.tu-dresden.de/~hongboz/msms_pymol/pymol_script/msms_pymol.py -> pymol-plugins-msms-100415.py
+_eclass_exported_funcs=src_unpack:- src_prepare:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=b19ae1fbe95c97233447cb0fbefaded1
diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-promol-3.0.2-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-promol-3.0.2-r1
new file mode 100644
index 000000000000..d7034da1cf3e
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-promol-3.0.2-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=install prepare
+DESCRIPTION=Fast and accurate regognition of active sites
+EAPI=5
+HOMEPAGE=http://www.rit.edu/cos/ezviz/ProMOL_dl.html
+IUSE=python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux
+LICENSE=all-rights-reserved
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] virtual/python-pmw[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+RESTRICT=mirror bindist
+SLOT=0
+SRC_URI=http://www.rit.edu/cos/ezviz/ProMOL.zip -> pymol-plugins-promol-3.0.2.zip
+_eclass_exported_funcs=src_prepare:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=595dd65c0598637d32294e431ac786f1
diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-psico-3.1-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-psico-3.1-r1
new file mode 100644
index 000000000000..5f88132e5b72
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-psico-3.1-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install postinst prepare test unpack
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+DESCRIPTION=Pymol ScrIpt COllection
+EAPI=5
+HOMEPAGE=https://github.com/speleo3/pymol-psico/
+IUSE=minimal python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD-2
+RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/mmtk[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] !minimal? ( media-libs/qhull media-video/mplayer sci-biology/stride sci-chemistry/dssp sci-chemistry/mm-align sci-chemistry/pdbmat sci-chemistry/theseus sci-chemistry/tm-align sci-mathematics/diagrtb ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 )
+SLOT=0
+SRC_URI=https://github.com/speleo3/pymol-psico/tarball/3.1 -> pymol-plugins-psico-3.1.tar.gz
+_eclass_exported_funcs=pkg_postinst:- src_unpack:vcs-snapshot src_prepare:distutils-r1 src_configure:distutils-r1 src_compile:distutils-r1 src_test:distutils-r1 src_install:distutils-r1
+_eclasses_=distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	vcs-snapshot	03289f51c769cf409d200d2d628cdd6e	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=43ad844b1f16b243dd59f0b441ca5da8
diff --git a/metadata/md5-cache/sci-chemistry/rasmol-2.7.5.2-r2 b/metadata/md5-cache/sci-chemistry/rasmol-2.7.5.2-r2
new file mode 100644
index 000000000000..6aa7f19f8330
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/rasmol-2.7.5.2-r2
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile install prepare setup
+DEPEND=dev-libs/cvector dev-util/gtk-builder-convert >=sci-libs/cbflib-0.9.2 >=sci-libs/cqrlib-1.1.2 >=sci-libs/neartree-3.1.1 x11-libs/cairo x11-libs/gtk+:2 x11-libs/libXext x11-libs/libXi x11-libs/vte:0 app-text/rman x11-misc/imake x11-proto/inputproto x11-proto/xextproto virtual/fortran
+DESCRIPTION=Molecular Graphics Visualisation Tool
+EAPI=5
+HOMEPAGE=http://www.openrasmol.org/
+KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux
+LICENSE=|| ( GPL-2 RASLIC )
+RDEPEND=dev-libs/cvector dev-util/gtk-builder-convert >=sci-libs/cbflib-0.9.2 >=sci-libs/cqrlib-1.1.2 >=sci-libs/neartree-3.1.1 x11-libs/cairo x11-libs/gtk+:2 x11-libs/libXext x11-libs/libXi x11-libs/vte:0 virtual/fortran
+SLOT=0
+SRC_URI=mirror://sourceforge/openrasmol/RasMol/RasMol_2.7.5/rasmol-2.7.5.2-13May11.tar.gz
+_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	prefix	df8265631f8bf5f5df387e9b987121f9	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=1018c7ecff11720e0f55739ec4da239e
diff --git a/metadata/md5-cache/sci-chemistry/raster3d-3.0.2 b/metadata/md5-cache/sci-chemistry/raster3d-3.0.2
new file mode 100644
index 000000000000..1d72aaef4639
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/raster3d-3.0.2
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile install postinst prepare setup
+DEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran
+DESCRIPTION=Generation high quality raster images of proteins or other molecules
+EAPI=4
+HOMEPAGE=http://www.bmsc.washington.edu/raster3d/raster3d.html
+IUSE=gd tiff
+KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux
+LICENSE=Artistic-2
+RDEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran
+SLOT=0
+SRC_URI=http://www.bmsc.washington.edu/raster3d/Raster3D_3.0-2.tar.gz -> Raster3D_3.0-2.tar
+_eclass_exported_funcs=pkg_postinst:- pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	prefix	df8265631f8bf5f5df387e9b987121f9	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=a59b1e92082f2d173671dfd85c99cf41
diff --git a/metadata/md5-cache/sci-chemistry/raster3d-3.0.3 b/metadata/md5-cache/sci-chemistry/raster3d-3.0.3
new file mode 100644
index 000000000000..81a1ee59cd1d
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/raster3d-3.0.3
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile install postinst prepare setup
+DEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran
+DESCRIPTION=Generation high quality raster images of proteins or other molecules
+EAPI=5
+HOMEPAGE=http://www.bmsc.washington.edu/raster3d/raster3d.html
+IUSE=gd tiff
+KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux
+LICENSE=Artistic-2
+RDEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran
+SLOT=0
+SRC_URI=http://www.bmsc.washington.edu/raster3d/Raster3D_3.0-3.tar.gz -> Raster3D_3.0-3.tar
+_eclass_exported_funcs=pkg_postinst:- pkg_setup:fortran-2 src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	prefix	df8265631f8bf5f5df387e9b987121f9	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=342cdfa3f027929bf6f5b74156fe7c8e
diff --git a/metadata/md5-cache/sci-chemistry/reduce-3.16.111118 b/metadata/md5-cache/sci-chemistry/reduce-3.16.111118
new file mode 100644
index 000000000000..0a1bc4f09c99
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/reduce-3.16.111118
@@ -0,0 +1,12 @@
+DEFINED_PHASES=compile install
+DEPEND=app-arch/unzip
+DESCRIPTION=Adds hydrogens to a Protein Data Bank (PDB) molecule structure file
+EAPI=6
+HOMEPAGE=http://kinemage.biochem.duke.edu/software/reduce.php
+KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux
+LICENSE=richardson
+SLOT=0
+SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/reduce31/reduce.3.16.111118.src.zip
+_eclass_exported_funcs=src_compile:- src_install:-
+_eclasses_=multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=4343b0ecf27a7f35d50655af17773bee
diff --git a/metadata/md5-cache/sci-chemistry/relax-4.0.0-r1 b/metadata/md5-cache/sci-chemistry/relax-4.0.0-r1
new file mode 100644
index 000000000000..2a744a11244e
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/relax-4.0.0-r1
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile install prepare setup test
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] media-gfx/pngcrush test? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] ) dev-util/scons test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost )
+DESCRIPTION=Molecular dynamics by NMR data analysis
+EAPI=5
+HOMEPAGE=http://www.nmr-relax.com/
+IUSE=test python_targets_python2_7 test
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X]
+REQUIRED_USE=python_targets_python2_7
+SLOT=0
+SRC_URI=http://download.gna.org/relax/relax-4.0.0.src.tar.bz2
+_eclass_exported_funcs=pkg_setup:- src_prepare:- src_compile:- src_test:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	scons-utils	fcace052aef60e6b0eb3023c26aa585a	toolchain-funcs	185a06792159ca143528e7010368e8af	virtualx	171580f737f5aaf18fcb456548588066	wxwidgets	04e063b0eff26daaea83d859dd9d6e05
+_md5_=a93ba0d630c6f9c5966b92003e43adad
diff --git a/metadata/md5-cache/sci-chemistry/shelx-20141228 b/metadata/md5-cache/sci-chemistry/shelx-20141228
new file mode 100644
index 000000000000..c2e978912e78
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/shelx-20141228
@@ -0,0 +1,11 @@
+DEFINED_PHASES=install
+DESCRIPTION=Programs for crystal structure determination from single-crystal diffraction data
+EAPI=5
+HOMEPAGE=http://shelx.uni-ac.gwdg.de/SHELX/
+KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux
+LICENSE=free-noncomm
+RESTRICT=fetch
+SLOT=0
+SRC_URI=amd64? ( anode_amd64.bz2 ciftab_amd64.bz2 shelxc_amd64.bz2 shelxd_amd64.bz2 shelxe_amd64.bz2 shelxl_amd64.bz2 shelxs_amd64.bz2 shelxt_amd64.bz2 shredcif_amd64.bz2 ) x86? ( anode_x86.bz2 ciftab_x86.bz2 shelxc_x86.bz2 shelxd_x86.bz2 shelxe_x86.bz2 shelxl_x86.bz2 shelxs_x86.bz2 shelxt_x86.bz2 shredcif_x86.bz2 )
+_eclass_exported_funcs=src_install:-
+_md5_=b66443b048e30f88389ac6ad4c1ca172
diff --git a/metadata/md5-cache/sci-chemistry/sparky-3.115-r2 b/metadata/md5-cache/sci-chemistry/sparky-3.115-r2
new file mode 100644
index 000000000000..4f21edf9fa21
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/sparky-3.115-r2
@@ -0,0 +1,16 @@
+DEFINED_PHASES=compile install prepare setup
+DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] app-shells/tcsh dev-lang/tcl:0= dev-lang/tk:0=
+DESCRIPTION=Graphical NMR assignment and integration program for large polymers
+EAPI=6
+HOMEPAGE=http://www.cgl.ucsf.edu/home/sparky/
+IUSE=examples python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=sparky
+RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] app-shells/tcsh dev-lang/tcl:0= dev-lang/tk:0=
+REQUIRED_USE=python_targets_python2_7
+RESTRICT=mirror
+SLOT=0
+SRC_URI=http://www.cgl.ucsf.edu/home/sparky/distrib-3.115/sparky-source-3.115.tar.gz
+_eclass_exported_funcs=pkg_setup:- src_prepare:- src_compile:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	prefix	df8265631f8bf5f5df387e9b987121f9	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=602d930dbfabc45f0336eb464eeadbdb
diff --git a/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 b/metadata/md5-cache/sci-chemistry/suitename-0.3.070628
new file mode 100644
index 000000000000..7014c924f333
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/suitename-0.3.070628
@@ -0,0 +1,11 @@
+DEFINED_PHASES=compile install prepare
+DESCRIPTION=The ROC RNA Ontology Consortium consensus RNA backbone nomenclature and conformer-list development
+EAPI=4
+HOMEPAGE=http://kinemage.biochem.duke.edu/software/suitename.php
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=richardson
+SLOT=0
+SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/suitename/suitename.0.3.070628.src.tgz
+_eclass_exported_funcs=src_prepare:- src_compile:- src_install:-
+_eclasses_=multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=f3751bdbdbce7b48ea8c66ac68009342
diff --git a/metadata/md5-cache/sci-chemistry/surf-1.0 b/metadata/md5-cache/sci-chemistry/surf-1.0
new file mode 100644
index 000000000000..adad20fe789a
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/surf-1.0
@@ -0,0 +1,12 @@
+DEFINED_PHASES=compile install prepare
+DEPEND=!www-client/surf sys-apps/ed x11-misc/makedepend
+DESCRIPTION=Solvent accesible Surface calculator
+EAPI=4
+HOMEPAGE=http://www.ks.uiuc.edu/
+KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux ~x86-macos
+LICENSE=SURF
+SLOT=0
+SRC_URI=http://www.ks.uiuc.edu/Research/vmd/extsrcs/surf.tar.Z -> surf-1.0.tar.Z
+_eclass_exported_funcs=src_prepare:- src_compile:- src_install:-
+_eclasses_=multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=a20abb1c7ee3a566f2304159128cb881
diff --git a/metadata/md5-cache/sci-chemistry/theseus-2.0.6 b/metadata/md5-cache/sci-chemistry/theseus-2.0.6
new file mode 100644
index 000000000000..22d25dec7140
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/theseus-2.0.6
@@ -0,0 +1,14 @@
+DEFINED_PHASES=install prepare
+DEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) virtual/pkgconfig
+DESCRIPTION=Maximum likelihood superpositioning and analysis of macromolecular structures
+EAPI=5
+HOMEPAGE=http://www.theseus3d.org/
+IUSE=examples
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-3
+RDEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 )
+SLOT=0
+SRC_URI=http://www.theseus3d.org/src/theseus_2.0.6.tar.gz
+_eclass_exported_funcs=src_prepare:- src_install:-
+_eclasses_=multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=22ffce5b9a0c8872cf80116e05aed37a
diff --git a/metadata/md5-cache/sci-chemistry/theseus-3.0.0 b/metadata/md5-cache/sci-chemistry/theseus-3.0.0
new file mode 100644
index 000000000000..8843e8cb58ef
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/theseus-3.0.0
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile install prepare
+DEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) virtual/pkgconfig
+DESCRIPTION=Maximum likelihood superpositioning and analysis of macromolecular structures
+EAPI=5
+HOMEPAGE=http://www.theseus3d.org/
+IUSE=examples
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-3
+RDEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 )
+SLOT=0
+SRC_URI=http://www.theseus3d.org/src/theseus_3.0.0.tar.gz
+_eclass_exported_funcs=src_prepare:- src_compile:- src_install:-
+_eclasses_=multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=9015e88fbbd5b940ff5995905a47bcbf
diff --git a/metadata/md5-cache/sci-chemistry/theseus-3.3.0 b/metadata/md5-cache/sci-chemistry/theseus-3.3.0
new file mode 100644
index 000000000000..19ba1deda382
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/theseus-3.3.0
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile install prepare
+DEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) virtual/pkgconfig
+DESCRIPTION=Maximum likelihood superpositioning and analysis of macromolecular structures
+EAPI=5
+HOMEPAGE=http://www.theseus3d.org/
+IUSE=examples
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-3
+RDEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 )
+SLOT=0
+SRC_URI=http://www.theseus3d.org/src/theseus_3.3.0.tar.gz
+_eclass_exported_funcs=src_prepare:- src_compile:- src_install:-
+_eclasses_=multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=9015e88fbbd5b940ff5995905a47bcbf
diff --git a/metadata/md5-cache/sci-chemistry/threeV-1.2-r1 b/metadata/md5-cache/sci-chemistry/threeV-1.2-r1
new file mode 100644
index 000000000000..7f680d24cf8e
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/threeV-1.2-r1
@@ -0,0 +1,12 @@
+DEFINED_PHASES=install prepare
+DESCRIPTION=3V: Voss Volume Voxelator
+EAPI=6
+HOMEPAGE=http://geometry.molmovdb.org/3v/
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+PDEPEND=sci-chemistry/msms-bin
+SLOT=0
+SRC_URI=http://geometry.molmovdb.org/3v/3v-1.2.tgz
+_eclass_exported_funcs=src_prepare:- src_install:-
+_eclasses_=multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=5ca6079a9193f10a01a27b188fadd411
diff --git a/metadata/md5-cache/sci-chemistry/tinker-7.1.2 b/metadata/md5-cache/sci-chemistry/tinker-7.1.2
new file mode 100644
index 000000000000..301b2e6adee5
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/tinker-7.1.2
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile install preinst prepare setup test
+DEPEND=>=virtual/jdk-1.6 virtual/fortran java? ( >=dev-java/java-config-2.2.0-r3 )
+DESCRIPTION=Molecular modeling package that includes force fields, such as AMBER and CHARMM
+EAPI=5
+HOMEPAGE=http://dasher.wustl.edu/tinker/
+IUSE=examples elibc_FreeBSD java
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=Tinker
+RDEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar !dev-util/diffuse >=virtual/jre-1.6 virtual/fortran java? ( >=dev-java/java-config-2.2.0-r3 )
+RESTRICT=mirror
+SLOT=0
+SRC_URI=http://dasher.wustl.edu/tinker/downloads/tinker-7.1.2.tar.gz
+_eclass_exported_funcs=pkg_preinst:java-pkg-opt-2 pkg_setup:- src_prepare:- src_compile:- src_test:- src_install:-
+_eclasses_=epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	java-pkg-opt-2	77d2e22d0de7640f817d20e861c0ff3f	java-utils-2	1971a6927fcd7ec839f7e12b28a24bdd	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=827bba5138af9b4f31f808e8fbc15c77
diff --git a/metadata/md5-cache/sci-chemistry/tm-align-20140601 b/metadata/md5-cache/sci-chemistry/tm-align-20140601
new file mode 100644
index 000000000000..002e2d9a848b
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/tm-align-20140601
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=sys-devel/make >=dev-util/cmake-3.7.2 virtual/fortran
+DESCRIPTION=Quick & Accurate Structural Alignment
+EAPI=5
+HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/TM-align/
+IUSE=static custom-cflags
+KEYWORDS=amd64 ppc ppc64 x86 ~amd64-linux ~x86-linux
+LICENSE=tm-align
+RDEPEND=virtual/fortran
+SLOT=0
+SRC_URI=http://zhanglab.ccmb.med.umich.edu/TM-align/TMtools20140601.tar.gz
+_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_configure:cmake-utils src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=5c270361585bf3dd5d51c717eb40b587
diff --git a/metadata/md5-cache/sci-chemistry/tm-align-20150914 b/metadata/md5-cache/sci-chemistry/tm-align-20150914
new file mode 100644
index 000000000000..423d37a757a2
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/tm-align-20150914
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=sys-devel/make >=dev-util/cmake-3.7.2 virtual/fortran
+DESCRIPTION=Quick & Accurate Structural Alignment
+EAPI=5
+HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/TM-align/
+IUSE=static custom-cflags
+KEYWORDS=~amd64 ~ppc ~ppc64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=tm-align
+RDEPEND=virtual/fortran
+SLOT=0
+SRC_URI=http://zhanglab.ccmb.med.umich.edu/TM-align/TMtools20150914.tar.gz
+_eclass_exported_funcs=pkg_setup:fortran-2 src_prepare:- src_configure:cmake-utils src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=34e06b97e2807695b17272363a7f9fd3
diff --git a/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3 b/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3
new file mode 100644
index 000000000000..b04cacfe35fe
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile install prepare setup
+DEPEND=media-libs/libpng:0= media-libs/tiff:0 virtual/glu virtual/opengl x11-libs/libX11 x11-libs/libXi x11-libs/libXmu x11-libs/libXt x11-libs/motif:0 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk(-)] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] x11-proto/inputproto x11-proto/xproto
+DESCRIPTION=Open-source graphical front end for computational chemistry programs
+EAPI=6
+HOMEPAGE=http://viewmol.sourceforge.net/
+IUSE=python_targets_python2_7
+KEYWORDS=~amd64 ~x86
+LICENSE=GPL-2
+RDEPEND=media-libs/libpng:0= media-libs/tiff:0 virtual/glu virtual/opengl x11-libs/libX11 x11-libs/libXi x11-libs/libXmu x11-libs/libXt x11-libs/motif:0 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk(-)] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)]
+REQUIRED_USE=python_targets_python2_7
+SLOT=0
+SRC_URI=mirror://sourceforge/viewmol/viewmol-2.4.1.src.tgz
+_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_compile:- src_install:-
+_eclasses_=multilib	97f470f374f2e94ccab04a2fb21d811e	prefix	df8265631f8bf5f5df387e9b987121f9	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=b7a67c4a505a5315601ee21d52b126a5
diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.2 b/metadata/md5-cache/sci-chemistry/vmd-1.9.2
new file mode 100644
index 000000000000..80203f4a12bd
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.2
@@ -0,0 +1,16 @@
+DEFINED_PHASES=compile configure install prepare setup
+DEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) virtual/pkgconfig dev-lang/swig
+DESCRIPTION=Visual Molecular Dynamics
+EAPI=5
+HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/
+IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_targets_python2_7
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=vmd
+RDEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray )
+REQUIRED_USE=python_targets_python2_7
+RESTRICT=fetch
+SLOT=0
+SRC_URI=https://dev.gentoo.org/~jlec/distfiles/vmd-1.9.2-gentoo-patches.tar.xz vmd-1.9.2.src.tar.gz
+_eclass_exported_funcs=pkg_setup:python-single-r1 src_prepare:- src_configure:- src_compile:- src_install:-
+_eclasses_=cuda	626969678b9c5735753d8a380c6f295b	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	prefix	df8265631f8bf5f5df387e9b987121f9	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=84b53a5dda5afa10bcc3dfd01191756d
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.4 b/metadata/md5-cache/sci-chemistry/votca-csg-1.4
new file mode 100644
index 000000000000..e8516359e021
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/votca-csg-1.4
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile configure install postinst prepare test unpack
+DEPEND==sci-libs/votca-tools-1.4 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.7.2
+DESCRIPTION=Votca coarse-graining engine
+EAPI=6
+HOMEPAGE=http://www.votca.org
+IUSE=doc examples extras +gromacs hdf5
+KEYWORDS=amd64 x86 ~amd64-linux ~x86-macos
+LICENSE=Apache-2.0
+PDEPEND=extras? ( =sci-chemistry/votca-csgapps-1.4 )
+RDEPEND==sci-libs/votca-tools-1.4 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:*
+SLOT=0
+SRC_URI=https://github.com/votca/csg/archive/v1.4.tar.gz -> votca-csg-1.4.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.4/votca-csg-manual-1.4.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.4.tar.gz -> votca-csg-tutorials-1.4.tar.gz )
+_eclass_exported_funcs=pkg_postinst:- src_unpack:- src_prepare:cmake-utils src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:-
+_eclasses_=bash-completion-r1	8e447753aaf658afa609fbf961d80ab7	cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
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diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-9999 b/metadata/md5-cache/sci-chemistry/votca-csg-9999
new file mode 100644
index 000000000000..900dd63f202a
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/votca-csg-9999
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile configure install postinst prepare test unpack
+DEPEND==sci-libs/votca-tools-9999 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.7.2 >=dev-vcs/git-1.8.2.1
+DESCRIPTION=Votca coarse-graining engine
+EAPI=6
+HOMEPAGE=http://www.votca.org
+IUSE=doc examples extras +gromacs hdf5
+LICENSE=Apache-2.0
+PDEPEND=extras? ( =sci-chemistry/votca-csgapps-9999 )
+RDEPEND==sci-libs/votca-tools-9999 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:*
+SLOT=0
+_eclass_exported_funcs=pkg_postinst:- src_unpack:- src_prepare:cmake-utils src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:-
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+_md5_=338cf235ef587742d522affa0b22ce91
diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4
new file mode 100644
index 000000000000..e0ebb0e42d89
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4
@@ -0,0 +1,13 @@
+DEFINED_PHASES=compile configure install prepare test
+DEPEND=~sci-chemistry/votca-csg-1.4 dev-util/ninja >=dev-util/cmake-3.7.2
+DESCRIPTION=Extra applications for votca-csg
+EAPI=6
+HOMEPAGE=http://www.votca.org
+KEYWORDS=amd64 x86 ~amd64-linux ~x86-macos
+LICENSE=Apache-2.0
+RDEPEND=~sci-chemistry/votca-csg-1.4
+SLOT=0
+SRC_URI=https://github.com/votca/csgapps/archive/v1.4.tar.gz -> votca-csgapps-1.4.tar.gz
+_eclass_exported_funcs=src_prepare:cmake-utils src_configure:cmake-utils src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=c5ea9cb22c7ea08a3e5de84db8643c58
diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-9999 b/metadata/md5-cache/sci-chemistry/votca-csgapps-9999
new file mode 100644
index 000000000000..3984531514ba
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/votca-csgapps-9999
@@ -0,0 +1,11 @@
+DEFINED_PHASES=compile configure install prepare test unpack
+DEPEND=~sci-chemistry/votca-csg-9999 dev-util/ninja >=dev-util/cmake-3.7.2 >=dev-vcs/git-1.8.2.1
+DESCRIPTION=Extra applications for votca-csg
+EAPI=6
+HOMEPAGE=http://www.votca.org
+LICENSE=Apache-2.0
+RDEPEND=~sci-chemistry/votca-csg-9999
+SLOT=0
+_eclass_exported_funcs=src_unpack:git-r3 src_prepare:cmake-utils src_configure:cmake-utils src_compile:cmake-utils src_test:cmake-utils src_install:cmake-utils
+_eclasses_=cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	git-r3	78651c07ca1c1373bf81545d39eb9769	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=d0c9f768c43f1834f77e2d2bce69f3d9
diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.4 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.4
new file mode 100644
index 000000000000..64bd1a7158b0
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/votca-xtp-1.4
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install postinst prepare test
+DEPEND==sci-libs/votca-tools-1.4[sqlite] =sci-chemistry/votca-csg-1.4 doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.7.2
+DESCRIPTION=Votca excitation and charge properties module
+EAPI=6
+HOMEPAGE=http://www.votca.org
+IUSE=doc
+KEYWORDS=amd64 x86 ~amd64-linux ~x86-macos
+LICENSE=Apache-2.0
+RDEPEND==sci-libs/votca-tools-1.4[sqlite] =sci-chemistry/votca-csg-1.4
+SLOT=0
+SRC_URI=https://github.com/votca/xtp/archive/v1.4.tar.gz -> votca-xtp-1.4.tar.gz doc? ( https://github.com/votca/xtp/releases/download/v1.4/votca-xtp-manual-1.4.pdf )
+_eclass_exported_funcs=pkg_postinst:- src_prepare:cmake-utils src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:-
+_eclasses_=bash-completion-r1	8e447753aaf658afa609fbf961d80ab7	cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=e7eeba247518e31258da81836bf62aca
diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-9999 b/metadata/md5-cache/sci-chemistry/votca-xtp-9999
new file mode 100644
index 000000000000..09d20376718b
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/votca-xtp-9999
@@ -0,0 +1,12 @@
+DEFINED_PHASES=compile configure install postinst prepare test unpack
+DEPEND==sci-libs/votca-tools-9999[sqlite] =sci-chemistry/votca-csg-9999 doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.7.2 >=dev-vcs/git-1.8.2.1
+DESCRIPTION=Votca excitation and charge properties module
+EAPI=6
+HOMEPAGE=http://www.votca.org
+IUSE=doc
+LICENSE=Apache-2.0
+RDEPEND==sci-libs/votca-tools-9999[sqlite] =sci-chemistry/votca-csg-9999
+SLOT=0
+_eclass_exported_funcs=pkg_postinst:- src_unpack:git-r3 src_prepare:cmake-utils src_configure:- src_compile:cmake-utils src_test:cmake-utils src_install:-
+_eclasses_=bash-completion-r1	8e447753aaf658afa609fbf961d80ab7	cmake-utils	026933aff3889190eeb565b642cfe252	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	git-r3	78651c07ca1c1373bf81545d39eb9769	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	284a473719153462f3e974d86c8cb81c	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0
+_md5_=30a343aed937bdf23dc0ad22fbddf6e6
diff --git a/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1
new file mode 100644
index 000000000000..362f482f450b
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1
@@ -0,0 +1,14 @@
+DEFINED_PHASES=configure install prepare
+DEPEND=media-libs/glew:0= media-libs/mesa x11-libs/wxGTK:3.0[X,opengl] flash? ( media-libs/ming ) virtual/pkgconfig >=app-portage/elt-patches-20170422 !<sys-devel/gettext-0.18.1.1-r3 || ( >=sys-devel/automake-1.15:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+DESCRIPTION=Chemical 3D graphics program with GAMESS input builder
+EAPI=5
+HOMEPAGE=http://www.scl.ameslab.gov/MacMolPlt/
+IUSE=flash
+KEYWORDS=~amd64 ~x86
+LICENSE=GPL-2
+RDEPEND=media-libs/glew:0= media-libs/mesa x11-libs/wxGTK:3.0[X,opengl] flash? ( media-libs/ming )
+SLOT=0
+SRC_URI=https://wxmacmolplt.googlecode.com/files/wxmacmolplt-7.5.tar.gz
+_eclass_exported_funcs=src_prepare:- src_configure:- src_install:-
+_eclasses_=autotools	7027963e8e8cc12c91117bdb9225dc26	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	9c113d6a64826c40154cad7be15d95ea	flag-o-matic	2274fcc1e7ef6affaff5bcd636275417	libtool	0081a71a261724730ec4c248494f044d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af	wxwidgets	04e063b0eff26daaea83d859dd9d6e05
+_md5_=4c8a5d6f6b512619efc226a49f13b7c6
diff --git a/metadata/md5-cache/sci-chemistry/xds-bin-20170930 b/metadata/md5-cache/sci-chemistry/xds-bin-20170930
new file mode 100644
index 000000000000..7b63feee1321
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/xds-bin-20170930
@@ -0,0 +1,12 @@
+DEFINED_PHASES=install postinst unpack
+DESCRIPTION=Software for processing single-crystal X-ray monochromatic diffraction data
+EAPI=6
+HOMEPAGE=http://xds.mpimf-heidelberg.mpg.de/
+IUSE=smp X
+KEYWORDS=-* ~amd64
+LICENSE=free-noncomm
+RDEPEND=X? ( sci-visualization/xds-viewer )
+SLOT=0
+SRC_URI=ftp://ftp.mpimf-heidelberg.mpg.de/pub/kabsch/XDS-INTEL64_Linux_x86_64.tar.gz -> XDS-INTEL64_Linux_x86_64-20170930.tar.gz ftp://ftp.mpimf-heidelberg.mpg.de/pub/kabsch/XDS_html_doc.tar.gz -> XDS_html_doc-20170930.tar.gz
+_eclass_exported_funcs=pkg_postinst:- src_unpack:- src_install:-
+_md5_=d89ca2393493d0882c4f792e5bceb2bc
diff --git a/metadata/md5-cache/sci-chemistry/xdsgui-0_p130530 b/metadata/md5-cache/sci-chemistry/xdsgui-0_p130530
new file mode 100644
index 000000000000..f483ad495487
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/xdsgui-0_p130530
@@ -0,0 +1,11 @@
+DEFINED_PHASES=install unpack
+DESCRIPTION=GUI for XDS that is supposed to help both novice and experienced users
+EAPI=5
+HOMEPAGE=http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/XdsGUI
+KEYWORDS=-* ~amd64 ~amd64-linux
+LICENSE=GPL-2
+RDEPEND=dev-qt/qtcore:4 dev-qt/qtgui:4 dev-util/xxdiff sci-chemistry/xds-bin sci-chemistry/xdsstat-bin sci-visualization/xds-viewer
+SLOT=0
+SRC_URI=amd64? ( ftp://turn5.biologie.uni-konstanz.de/pub/xdsGUI.rhel6.64 -> xdsgui-0_p130530.64 ) x86? ( ftp://turn5.biologie.uni-konstanz.de/pub/xdsGUI.rhel6.32 -> xdsgui-0_p130530.32 )
+_eclass_exported_funcs=src_unpack:- src_install:-
+_md5_=93caeeb1723f27912b2303654e6c11ea
diff --git a/metadata/md5-cache/sci-chemistry/xdsstat-bin-140225 b/metadata/md5-cache/sci-chemistry/xdsstat-bin-140225
new file mode 100644
index 000000000000..657775dfa254
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/xdsstat-bin-140225
@@ -0,0 +1,12 @@
+DEFINED_PHASES=install
+DESCRIPTION=Prints various statistics (that are not available from XDS itself)
+EAPI=5
+HOMEPAGE=http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/XDSSTAT
+KEYWORDS=~amd64 ~amd64-linux
+LICENSE=all-rights-reserved
+RDEPEND=sci-chemistry/xds-bin
+RESTRICT=mirror
+SLOT=0
+SRC_URI=amd64? ( ftp://turn5.biologie.uni-konstanz.de/pub/xdsstat-linux64.bz2 ) x86? ( ftp://turn5.biologie.uni-konstanz.de/pub/xdsstat-linux32.bz2 )
+_eclass_exported_funcs=src_install:-
+_md5_=507e7c579a71eb03960a08847ac16f6e
diff --git a/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 b/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001
new file mode 100644
index 000000000000..1b086efe8403
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001
@@ -0,0 +1,11 @@
+DEFINED_PHASES=install prepare
+DESCRIPTION=Cross conversion environment of NMR spectra
+EAPI=6
+HOMEPAGE=http://fermi.pharm.hokudai.ac.jp/olivia/api/index.php/Xyza2pipe_src
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=olivia
+SLOT=0
+SRC_URI=http://fermi.pharm.hokudai.ac.jp/olivia/documents/xyza2pipe.tgz -> xyza2pipe-20121001.tgz
+_eclass_exported_funcs=src_prepare:- src_install:-
+_eclasses_=multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
+_md5_=c93da6bf85d6833951ad1ba692d826ed
author	Repository QA checks <repo-qa-checks@gentoo.org>	2017-08-27 21:35:01 +0000
committer	Repository QA checks <repo-qa-checks@gentoo.org>	2017-08-27 21:35:01 +0000
commit	c715726ae20b3483a02340521364e0452e6a200d (patch)
tree	65283544590ba8707f91702a04b0dacbd0b06cdd /metadata/md5-cache/sci-chemistry
parent	Merge updates from master (diff)
download	gentoo-c715726ae20b3483a02340521364e0452e6a200d.tar.gz gentoo-c715726ae20b3483a02340521364e0452e6a200d.tar.bz2 gentoo-c715726ae20b3483a02340521364e0452e6a200d.zip