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authorJustin Lecher <jlec@gentoo.org>2010-10-20 06:32:26 +0000
committerJustin Lecher <jlec@gentoo.org>2010-10-20 06:32:26 +0000
commitce1288f103e20e745abf9b0b909387ccb0cfb5f3 (patch)
treef0ff1a12e1e1ee7f00d9fbdb6c66dbae363dc798 /sci-chemistry
parentInitital addition (diff)
downloadgentoo-2-ce1288f103e20e745abf9b0b909387ccb0cfb5f3.tar.gz
gentoo-2-ce1288f103e20e745abf9b0b909387ccb0cfb5f3.tar.bz2
gentoo-2-ce1288f103e20e745abf9b0b909387ccb0cfb5f3.zip
Version Bump, removed old
(Portage version: 2.2_rc98/cvs/Linux x86_64)
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/refmac/ChangeLog9
-rw-r--r--sci-chemistry/refmac/files/5.6.0086-allow-dynamic-linking.patch241
-rw-r--r--sci-chemistry/refmac/refmac-5.6.0084.ebuild71
-rw-r--r--sci-chemistry/refmac/refmac-5.6.0086.ebuild (renamed from sci-chemistry/refmac/refmac-5.6.0083.ebuild)2
4 files changed, 250 insertions, 73 deletions
diff --git a/sci-chemistry/refmac/ChangeLog b/sci-chemistry/refmac/ChangeLog
index df2869d0f704..dd9092d9c7c4 100644
--- a/sci-chemistry/refmac/ChangeLog
+++ b/sci-chemistry/refmac/ChangeLog
@@ -1,6 +1,13 @@
# ChangeLog for sci-chemistry/refmac
# Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/ChangeLog,v 1.18 2010/09/30 08:06:44 jlec Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/ChangeLog,v 1.19 2010/10/20 06:32:26 jlec Exp $
+
+*refmac-5.6.0086 (20 Oct 2010)
+
+ 20 Oct 2010; Justin Lecher <jlec@gentoo.org>
+ +files/5.6.0086-allow-dynamic-linking.patch, -refmac-5.6.0083.ebuild,
+ -refmac-5.6.0084.ebuild, +refmac-5.6.0086.ebuild:
+ Version Bump, removed old
*refmac-5.6.0085 (30 Sep 2010)
diff --git a/sci-chemistry/refmac/files/5.6.0086-allow-dynamic-linking.patch b/sci-chemistry/refmac/files/5.6.0086-allow-dynamic-linking.patch
new file mode 100644
index 000000000000..2134cc63ec67
--- /dev/null
+++ b/sci-chemistry/refmac/files/5.6.0086-allow-dynamic-linking.patch
@@ -0,0 +1,241 @@
+diff --git a/makefile_refmac.inc1 b/makefile_refmac.inc1
+index 5263df1..6b96e5e 100644
+--- a/makefile_refmac.inc1
++++ b/makefile_refmac.inc1
+@@ -90,9 +90,7 @@ messy_pdb.o \
+ bridge.o \
+ i0.o \
+ i1.o \
+-chbevl.o \
+-$(LLIBCIF) \
+-$(LLIBLAPACK)
++chbevl.o
+
+
+ SUBL = \
+@@ -126,9 +124,7 @@ cell_symm_subrs.o \
+ iheap_sort.o \
+ linalgebra.o \
+ math_refmac.o \
+-subnumrec.o \
+-$(LLIBLAPACK) \
+-$(LLIBCCP)
++subnumrec.o
+
+ #--------------------------------------------------------------------------------
+
+@@ -153,33 +149,32 @@ rharvest77mod.o: rharvest77mod.f
+ twin77mod.o: twin77mod.f
+ $(FC) $(FFLAGS) -c twin77mod.f
+
++max_with_twins.o: restr_files.o max_with_twins.f
++ $(FC) $(FFLAGS) -c max_with_twins.f
+
+-max_with_twins.o: restr_files.f90 max_with_twins.f
+- $(FC) $(FFLAGS) -c restr_files.f90 max_with_twins.f
+-
+-merohedr_twin.o: restr_files.f90 merohedr_twin.f
+- $(FC) $(FFLAGS) -c restr_files.f90 merohedr_twin.f
++merohedr_twin.o: restr_files.o merohedr_twin.f
++ $(FC) $(FFLAGS) -c merohedr_twin.f
+
+-ls_scaling_twin_save.o: restr_files.f90 ls_scaling_twin_save.f
+- $(FC) $(FFLAGS) -c restr_files.f90 ls_scaling_twin_save.f
++ls_scaling_twin_save.o: restr_files.o ls_scaling_twin_save.f
++ $(FC) $(FFLAGS) -c ls_scaling_twin_save.f
+
+-ml_params_refine.o: restr_files.f90 ml_params_refine.f
+- $(FC) $(FFLAGS) -c restr_files.f90 ml_params_refine.f
++ml_params_refine.o: restr_files.o ml_params_refine.f
++ $(FC) $(FFLAGS) -c ml_params_refine.f
+
+-optimise_solvent_all.o: optimise_solvent_all.f90
++optimise_solvent_all.o: optimise_solvent_all.f90 atomf77mod.o
+ $(FC) $(FFLAGS) -c optimise_solvent_all.f90
+
+-ncs_rest.o: restr_files.f90 ncs_ncs_generate.f90 ncs_rest.f
+- $(FC) $(FFLAGS) -c restr_files.f90 ncs_ncs_generate.f90 ncs_rest.f
++ncs_rest.o: restr_files.o ncs_ncs_generate.o ncs_rest.f
++ $(FC) $(FFLAGS) -c ncs_rest.f
+
+-ncs_ncs_generate.o: ncs_ncs_generate.f90 align_refmac.f90
+- $(FC) $(FFLAGS) -c ncs_ncs_generate.f90 align_refmac.f90
++ncs_ncs_generate.o: ncs_ncs_generate.f90 align_refmac.o
++ $(FC) $(FFLAGS) -c ncs_ncs_generate.f90
+
+-lsq_exp2.o: restr_files.f90 dist_routines.f90 ncs_simil.f90 ridge.f90 local_tls.f90 lsq_exp2.f
+- $(FC) $(FFLAGS) -c restr_files.f90 dist_routines.f90 ncs_simil.f90 ridge.f90 local_tls.f90 lsq_exp2.f
++lsq_exp2.o: restr_files.o dist_routines.o ncs_simil.o ridge.o local_tls.o lsq_exp2.f
++ $(FC) $(FFLAGS) -c lsq_exp2.f
+
+-vdw_and_contacts.o: vdw_and_contacts.f local_tls.f90 ridge.f90 restr_files.f90
+- $(FC) $(FFLAGS) -c restr_files.f90 ridge.f90 local_tls.f90 vdw_and_contacts.f
++vdw_and_contacts.o: vdw_and_contacts.f local_tls.o ridge.o restr_files.o
++ $(FC) $(FFLAGS) -c vdw_and_contacts.f
+
+ dist_routines.o: dist_routines.f90
+ $(FC) $(FFLAGS) -c dist_routines.f90
+@@ -193,109 +188,110 @@ ridge.o: ridge.f90
+ align_refmac.o: align_refmac.f90
+ $(FC) $(FFLAGS) -c align_refmac.f90
+
+-rigid_allocate.o: restr_files.f90 rigid_allocate.f
+- $(FC) $(FFLAGS) -c restr_files.f90 rigid_allocate.f
++rigid_allocate.o: restr_files.o rigid_allocate.f
++ $(FC) $(FFLAGS) -c rigid_allocate.f
+
+-tls_allocate.o: restr_files.f90 tls_allocate.f
+- $(FC) $(FFLAGS) -c restr_files.f90 tls_allocate.f
++tls_allocate.o: restr_files.o tls_allocate.f
++ $(FC) $(FFLAGS) -c tls_allocate.f
+
+-hkon_secder_tch.o: hkon_secder_tch.f local_tls.f90 ncs_simil.f90 optimise_solvent_all.f90 restr_files.f90
+- $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 ncs_simil.f90 local_tls.f90 hkon_secder_tch.f
++hkon_secder_tch.o: hkon_secder_tch.f local_tls.o ncs_simil.o optimise_solvent_all.o restr_files.o
++ $(FC) $(FFLAGS) -c hkon_secder_tch.f
+
+-oppro_allocate.o: oppro_allocate.f filter_params.f90 optimise_solvent_all.f90 restr_files.f90
+- $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 filter_params.f90 oppro_allocate.f
++oppro_allocate.o: oppro_allocate.f filter_params.o optimise_solvent_all.o restr_files.o
++ $(FC) $(FFLAGS) -c oppro_allocate.f
+
+-read_extra_restraints.o: restr_files.f90 read_extra_restraints.f
+- $(FC) $(FFLAGS) -c restr_files.f90 read_extra_restraints.f
++read_extra_restraints.o: restr_files.o read_extra_restraints.f
++ $(FC) $(FFLAGS) -c read_extra_restraints.f
+
+-coords.o: coords.f90 atomf77mod.f
+- $(FC) $(FFLAGS) -c atomf77mod.f coords.f90
++coords.o: coords.f90 atomf77mod.o
++ $(FC) $(FFLAGS) -c coords.f90
+
+-refpre_twin.o: refpre_twin.f coords.f90 automorphism.f90 restr_files.f90
+- $(FC) $(FFLAGS) -c restr_files.f90 coords.f90 automorphism.f90 refpre_twin.f
++refpre_twin.o: refpre_twin.f coords.o automorphism.o restr_files.o
++ $(FC) $(FFLAGS) -c refpre_twin.f
+
+-decide_twin_opers_0.o: restr_files.f90 decide_twin_opers_0.f
+- $(FC) $(FFLAGS) -c restr_files.f90 decide_twin_opers_0.f
++decide_twin_opers_0.o: restr_files.o decide_twin_opers_0.f
++ $(FC) $(FFLAGS) -c decide_twin_opers_0.f
+
+ automorphism.o: automorphism.f90
+ $(FC) $(FFLAGS) -c automorphism.f90
+
+-mtz_write_twin.o: mtz_write_twin.f filter_params.f90 restr_files.f90
+- $(FC) $(FFLAGS) -c restr_files.f90 filter_params.f90 mtz_write_twin.f
++mtz_write_twin.o: mtz_write_twin.f filter_params.o restr_files.o
++ $(FC) $(FFLAGS) -c mtz_write_twin.f
+
+ filter_params.o: filter_params.f90
+ $(FC) $(FFLAGS) -c filter_params.f90
+
+-rcard_tor1.o: rcard_tor1.f filter_params.f90 local_tls.f90 ridge.f90 optimise_solvent_all.f90 restr_files.f90
+- $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 filter_params.f90 local_tls.f90 ridge.f90 rcard_tor1.f
++rcard_tor1.o: rcard_tor1.f filter_params.o local_tls.o ridge.o optimise_solvent_all.o restr_files.o
++ $(FC) $(FFLAGS) -c rcard_tor1.f
+
+-inout_routines.o: restr_files.f90 inout_routines.f
+- $(FC) $(FFLAGS) -c restr_files.f90 inout_routines.f
++inout_routines.o: restr_files.o inout_routines.f
++ $(FC) $(FFLAGS) -c inout_routines.f
+
+-local_tls.o: local_tls.f90 linalgebra_f90.f90
+- $(FC) $(FFLAGS) -c linalgebra_f90.f90 local_tls.f90
++local_tls.o: local_tls.f90 linalgebra_f90.o
++ $(FC) $(FFLAGS) -c local_tls.f90
+
+ linalgebra_f90.o: linalgebra_f90.f90
+ $(FC) $(FFLAGS) -c linalgebra_f90.f90
+
+-make_refmac_dummy.o: make_refmac_dummy.f optimise_solvent_all.f90
+- $(FC) $(FFLAGS) -c optimise_solvent_all.f90 make_refmac_dummy.f
++make_refmac_dummy.o: make_refmac_dummy.f optimise_solvent_all.o
++ $(FC) $(FFLAGS) -c make_refmac_dummy.f
+
+-ml_scaling_double.o: ml_scaling_double.f optimise_solvent_all.f90
+- $(FC) $(FFLAGS) -c optimise_solvent_all.f90 ml_scaling_double.f
++ml_scaling_double.o: ml_scaling_double.f optimise_solvent_all.o
++ $(FC) $(FFLAGS) -c ml_scaling_double.f
+
+-refall_twin.o: refall_twin.f optimise_solvent_all.f90 restr_files.f90
+- $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 refall_twin.f
++refall_twin.o: refall_twin.f optimise_solvent_all.o restr_files.o
++ $(FC) $(FFLAGS) -c refall_twin.f
+
+-rharvest.o: rharvest.f optimise_solvent_all.f90
+- $(FC) $(FFLAGS) -c optimise_solvent_all.f90 rharvest.f
++rharvest.o: rharvest.f optimise_solvent_all.o
++ $(FC) $(FFLAGS) -c rharvest.f
+
+-solvent_contr_mask.o: solvent_contr_mask.f optimise_solvent_all.f90
+- $(FC) $(FFLAGS) -c optimise_solvent_all.f90 solvent_contr_mask.f
++solvent_contr_mask.o: solvent_contr_mask.f optimise_solvent_all.o
++ $(FC) $(FFLAGS) -c solvent_contr_mask.f
+
+-subag_scale_hessian.o: subag_scale_hessian.f optimise_solvent_all.f90 restr_files.f90
+- $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 subag_scale_hessian.f
++subag_scale_hessian.o: subag_scale_hessian.f optimise_solvent_all.o restr_files.o
++ $(FC) $(FFLAGS) -c subag_scale_hessian.f
+
+-subcf_scale1.o: subcf_scale1.f optimise_solvent_all.f90
+- $(FC) $(FFLAGS) -c optimise_solvent_all.f90 subcf_scale1.f
++subcf_scale1.o: subcf_scale1.f optimise_solvent_all.o
++ $(FC) $(FFLAGS) -c subcf_scale1.f
+
+-bvalue_routines.o: bvalue_routines.f90 restr_files.f90 atomf77mod.f
+- $(FC) $(FFLAGS) -c restr_files.f90 atomf77mod.f bvalue_routines.f90
++bvalue_routines.o: bvalue_routines.f90 restr_files.o atomf77mod.o
++ $(FC) $(FFLAGS) -c bvalue_routines.f90
+
+-refmac_xml.o: refmac_xml.f optimise_solvent_all.f90 restr_files.f90 bvalue_routines.f90
+- $(FC) $(FFLAGS) -c bvalue_routines.f90 restr_files.f90 optimise_solvent_all.f90 refmac_xml.f
++refmac_xml.o: refmac_xml.f optimise_solvent_all.o restr_files.o bvalue_routines.o
++ $(FC) $(FFLAGS) -c refmac_xml.f
+
+ hkl_pack.o: hkl_pack.f90
+ $(FC) $(FFLAGS) -c hkl_pack.f90
+
+-subvag.o: subvag.f hkl_pack.f90
++subvag.o: subvag.f hkl_pack.o
+ $(FC) $(FFLAGS) -c hkl_pack.f90 subvag.f
+
+ refmac: $(SUBR)
+- $(FC) $(FFLAGS) -o refmac${VERSION} ${SUBR} $(LLIBOTHERS) $(LLIBCCP)
++ $(FC) $(FFLAGS) $(LDFLAGS) -o refmac${VERSION} ${SUBR} $(LLIBOTHERS) $(LLIBCCP) $(LLIBCIF) $(LLIBLAPACK)
+
+-mol2_file.o: mol2_file.f odb_files.f90
+- $(FC) $(FFLAGS) -c odb_files.f90 mol2_file.f
++mol2_file.o: mol2_file.f odb_files.o
++ $(FC) $(FFLAGS) -c mol2_file.f
+
+-odb_files.o: odb_files.f90 elements_module.f90 enerf77mod.f
+- $(FC) $(FFLAGS) -c elements_module.f90 enerf77mod.f odb_files.f90
++odb_files.o: odb_files.f90 elements_module.o enerf77mod.o
++ $(FC) $(FFLAGS) -c enerf77mod.f odb_files.f90
+
+ elements_module.o: elements_module.f90
+ $(FC) $(FFLAGS) -c elements_module.f90
+
+-make_lib2.o: make_lib2.f odb_files.f90
+- $(FC) $(FFLAGS) -c odb_files.f90 make_lib2.f
++make_lib2.o: make_lib2.f odb_files.o
++ $(FC) $(FFLAGS) -c make_lib2.f
+
+ pdb2libcheck.o: pdb2libcheck.f90
+ $(FC) $(FFLAGS) -c pdb2libcheck.f90
+
+-libcheck.o: libcheck.f elements_module.f90 pdb2libcheck.f90
+- $(FC) $(FFLAGS) -c elements_module.f90 pdb2libcheck.f90 libcheck.f
++libcheck.o: libcheck.f elements_module.o pdb2libcheck.o
++ $(FC) $(FFLAGS) -c libcheck.f
+
+ libcheck: $(SUBL)
+- $(FC) $(FFLAGS) -o libcheck${VERSION} $(SUBL)
++ $(FC) $(FFLAGS) $(LDFLAGS) -o libcheck${VERSION} $(SUBL) $(LLIBCCP) $(LLIBCIF) $(LLIBLAPACK)
+
+ clean:
+ /bin/rm *.o
+
+ bridge.o: bridge.cpp llhood.h covmat.h Gauss.h tabfunc.h
++ $(CXX) $(CXXFLAGS) -c bridge.cpp
diff --git a/sci-chemistry/refmac/refmac-5.6.0084.ebuild b/sci-chemistry/refmac/refmac-5.6.0084.ebuild
deleted file mode 100644
index ea210304031b..000000000000
--- a/sci-chemistry/refmac/refmac-5.6.0084.ebuild
+++ /dev/null
@@ -1,71 +0,0 @@
-# Copyright 1999-2010 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/refmac-5.6.0084.ebuild,v 1.1 2010/09/27 15:09:53 jlec Exp $
-
-EAPI="2"
-
-inherit fortran base toolchain-funcs versionator
-
-MY_PV="$(get_version_component_range 1-2)_source_v${PV}"
-
-DESCRIPTION="Macromolecular crystallographic refinement program"
-HOMEPAGE="http://www.ysbl.york.ac.uk/~garib/refmac/"
-SRC_URI="${HOMEPAGE}data/refmac_experimental/${PN}${MY_PV}.tar.gz
- test? ( http://dev.gentooexperimental.org/~jlec/distfiles/test-framework.tar.gz )"
-
-SLOT="0"
-LICENSE="ccp4"
-KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE="test"
-
-RDEPEND="
- sci-libs/ccp4-libs
- sci-libs/mmdb
- >sci-libs/monomer-db-1
- virtual/blas
- virtual/lapack"
-DEPEND="${RDEPEND}"
-
-S="${WORKDIR}"
-
-PATCHES=(
- "${FILESDIR}"/${PV}-allow-dynamic-linking.patch
- )
-
-src_prepare() {
- base_src_prepare
- use test && epatch "${FILESDIR}"/5.5-test.log.patch
-}
-
-src_compile() {
- emake \
- FC=$(tc-getFC) \
- CC=$(tc-getCC) \
- CXX=$(tc-getCXX) \
- COPTIM="${CFLAGS}" \
- FOPTIM="${FFLAGS:- -O2}" \
- VERSION="" \
- XFFLAGS="-fno-second-underscore" \
- LLIBCCP="-lccp4f -lccp4c -lccif -lmmdb -lstdc++" \
- LLIBLAPACK="$(pkg-config --libs lapack blas)" \
- || die
-}
-
-src_test() {
- einfo "Starting tests ..."
- export PATH="${WORKDIR}/test-framework/scripts:${S}:${PATH}"
- export CCP4_TEST="${WORKDIR}"/test-framework
- export CCP4_SCR="${T}"
- ln -sf refmac "${S}"/refmac5
- sed '/^ANISOU/d' -i ${CCP4_TEST}/data/pdb/1vr7.pdb
- ccp4-run-thorough-tests -v test_refmac5 || die
-}
-
-src_install() {
- for i in refmac libcheck; do
- exeinto /usr/libexec/ccp4/bin/
- doexe ${i} || die
- dosym ../libexec/ccp4/bin/${i} /usr/bin/${i}
- done
- dosym refmac /usr/bin/refmac5 || die
-}
diff --git a/sci-chemistry/refmac/refmac-5.6.0083.ebuild b/sci-chemistry/refmac/refmac-5.6.0086.ebuild
index 4a83de4cf265..3d4040027147 100644
--- a/sci-chemistry/refmac/refmac-5.6.0083.ebuild
+++ b/sci-chemistry/refmac/refmac-5.6.0086.ebuild
@@ -1,6 +1,6 @@
# Copyright 1999-2010 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/refmac-5.6.0083.ebuild,v 1.1 2010/09/24 10:55:08 jlec Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/refmac-5.6.0086.ebuild,v 1.1 2010/10/20 06:32:26 jlec Exp $
EAPI="2"