sci-physics/lammps: Adding new version.

Package-Manager: portage-2.2.14/cvs/Linux x86_64
Manifest-Sign-Key: 0xAC91CA52

3 files changed, 221 insertions, 2 deletions

diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index 404564c66042..d11d2d57cfaf 100644
--- a/sci-physics/lammps/ChangeLog
+++ b/sci-physics/lammps/ChangeLog
@@ -1,6 +1,11 @@
 # ChangeLog for sci-physics/lammps
 # Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.77 2015/03/20 21:48:26 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.78 2015/03/21 03:13:46 nicolasbock Exp $
+
+*lammps-20150306 (21 Mar 2015)
+
+  21 Mar 2015; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20150306.ebuild:
+  sci-physics/lammps: Adding new version.
 
 *lammps-20150305 (20 Mar 2015)
 
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 16dd21bc4a53..b3e541459499 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -34,6 +34,7 @@ DIST lammps-5Sep14.tar.gz 66049751 SHA256 e05d5287752a32e3e7fb34f51b080c5f72ee12
 DIST lammps-6Aug14.tar.gz 64806245 SHA256 844fa61c95b8bc5ae3bfdf225dfc3d562d8750d1c7b1f1601379e94c4176a682 SHA512 220113eea7f550c15a46f87e5aac2583477bbdb1faf535a221ef36cc0d0b159ebad23e0d9186e5bc9988ccc73c70e2e6af3ca719c982fdc58cf81e1cbf6c4f3a WHIRLPOOL 12fc8180bb16e612af2640f9c1b16911f3ca55ba233b2eec8cbae2c689d397d8ef52177a4bbc6388d0da18202c3795c9b8b3aa8dc4ac935e05204dc825f0dac4
 DIST lammps-6Feb15.tar.gz 62909412 SHA256 3bc26f6d7eaf31c7846b83dd3020f95b2bad13d8acb0b4ea5ebc058849e98e86 SHA512 27e9d7dbacc90372a6ae85cc7a238883759417d09711fe223dfc9872e00e80e641e34bbcc5c924e3963a719e6c17e9cd890fa236c86265c7b734a1c26c66355a WHIRLPOOL 0391c69da9ca3f03281b109c20f981f8a85e63ce20a7afcb762cb2b3b2297016d3dab78a71ea5c4e6c0b98c6a5ce7cbec92c59daaf670686204a688299f7dd09
 DIST lammps-6Jan15.tar.gz 61856773 SHA256 8a46420d189e071c0019b2f14594d32026816bd9da269c1733932b75a98a52ff SHA512 a6a54cc5f78414e92977b6cb77076ef23b31e1ca6ed4129ba286d403b41aee6217a0136ba5f35a0f20baa15976c61f75abec840179173411bf6f4f314e06d389 WHIRLPOOL 133ea1ad548a3803074248281c3dcff874f59b712fa59bf7fb92d21559608123caaef3811ce8191519ffe08dc89f5eb5dbcdd1a8341cfad1b1558e8700c6606e
+DIST lammps-6Mar15.tar.gz 63537482 SHA256 b019cd6dda169874414f501e1b2bf3eaff4a21dd9dd0c18d55fadf50501810a9 SHA512 fdcbce8bf5abfda7d6f0dc26bb9fd0efd1ecabdd28197cb1a061505777c7b0acc936e71e1dc49683bc04b8cfa4f04124b28706bd3f082c17db2abae09b951be2 WHIRLPOOL 085e286be41616183b5dd569119254f8491a323844f5a94bac2f9e5d018f5ce2d1090fe23d51bec6d1777ae59cb1daeb363422f79e18917fa12f984f314428f8
 DIST lammps-8Aug14.tar.gz 65050504 SHA256 f7324db760b39f64ff926d1c4b034cd8d122f31e368d939ad39ccba2c33c4585 SHA512 8dc2f6adc0ff5cd7f53801728b1b078c289bb9e40a16bcd3fb0252b159c6e51705f61f264a004cebca53c57d1073e74c6fc633f3c442a12a14e4b1eb6715abea WHIRLPOOL d700b504c91c7744447a84c48abc1b4015ec67ff1c6fb5d85d6504395a1cdadc9d4dd0cd777a6b14cfc0c0c8f0685286f92e2d68b2ff2ee85a37db4626bd43f7
 DIST lammps-9Dec14.tar.gz 61465046 SHA256 01724976608413e049d197a12b8608321220a9a15a7c3d7706babd1ab9e21de1 SHA512 30ae88f930bea43adbbe217cf6b4d9f257d16f707f95d60e6a07358b0633578dae767fd348f656061e10d9783fff2a59118bbf902569bd70bb77f682fd7fd666 WHIRLPOOL 5cccbe3da9e00316c660d721ece7fa0d208edbf3c94845c06d15d08f5e5852cc11919aae78fcb02f7f9109e5e478f2d52c299dc20be3877cb378e636701c0579
 EBUILD lammps-20140201.ebuild 2467 SHA256 dabebb7bbd33a22023f218fea5331d68b2eba0666712dd080b13bfa630c4529c SHA512 944ce71a43d978909c5c0b129072cf7532cb10db4c5e6ac24cfbf85afcecac4ca9bbfafe4e147fc429c94aeecd7b4765a821c1a538267b75a045ffa1f41ebd39 WHIRLPOOL 113ebc1905299fdae5b6b5f4f57fd862e920ead05afd4f5850e341b6266f9a1a14a79d7f627d6915454b748960718ee08bfb84eea0ee1f03ec21fc28f8e73bd3
@@ -74,5 +75,6 @@ EBUILD lammps-20150219.ebuild 4955 SHA256 11423bb22e1968d2280a44cbf004fa977f4832
 EBUILD lammps-20150224.ebuild 4955 SHA256 7b01f730130e59fad8479f993fd8ad87a3bb54946eeea1143ac873ff28372f80 SHA512 7b85015f33f74534f02ad2c918990ce0f0085ab1965e91023e401d5d69be83a1f533aae99134b9792764dbbb8e0304d0908ae7da0063ab9f4a4a6a3aa0ae6dc2 WHIRLPOOL 45adcd4982817dc4856f7af04f572c3a9e538bd2a80a9724096d59511e785c05e095764e216b19e9f13f3b83962014f2fac1f98c496fb9ebd6f618da6f624bd5
 EBUILD lammps-20150304.ebuild 5129 SHA256 a54aed100c0175a1821776bf6ccffbb7236e2e55306d25850f3ef72aa7a329cb SHA512 58c64d157bc6ba56019c55a7d217923d12f13260301105af6de9514c93f9b58fa472bbb58fc49f3b0a7ed30c1c010d6a394213c0a18dd8270e315446f6f40f2f WHIRLPOOL a225802274566b1bbf58b259793752bfc1141450e203e1e14035111f1cfcbbf0f1736462152fa5303377aa030e73c9750e84af2f9ecaf081e757483d285ffe15
 EBUILD lammps-20150305.ebuild 5129 SHA256 7807125784a48075648cfb58ed28dbaca2eb17511f7d91accfc6f6567c336386 SHA512 8bb7b68699f3798e707f9bfac0acd120dc2a0fceefda27b68bb17e25bceb8a8ed194a9640c9fc75f49b68509699e4503b9052111cd850e3b6ee9428f44ba7077 WHIRLPOOL 450d89c9db6cb48213146d14ebe719a90bf72c362e63c14ccc717cced919f073f8c92ae1508527ac8cbeb149c1c2bd066d033afcb8758d9cb677be1e209eb395
-MISC ChangeLog 13032 SHA256 6cb1a4899c8b6320a814368e8cefa38747c7f7c6d004787a7e7c2078cbc6c939 SHA512 0adae5c53bc79a86ab37f6201bef80995e2ae1b42ce776f014bda8f6c9afa7e238de66850b36e3ab2a82690a94f70da09f385ddb1a002fe2300b4733b5743178 WHIRLPOOL 2944b01c14167695a415a4b13cbb95cd52867f35d6b091375c10ccb8e5b69717ea4e28569eaa288edd0dfd7ad5bdb94cfeaab1dc514f2b1dd1701694377eef0c
+EBUILD lammps-20150306.ebuild 5179 SHA256 f828047af1693586ddbd41a395bcaf9c27ce080e4efba9077f1054adeda7ba16 SHA512 367d0269af4b293f68470ef164c91419836ef49203617d8f5b6fecc80c850d0208b14151cea78db03ac157dfab20b641acf98875cf3feaa1fca58644938bd0b9 WHIRLPOOL d5dd08f6e5be9d6b19c2adc69561ef49f92b70698092103c9940bbb383fdad741a223fa9111983d8a8029ba4e0f6459c02c6ac94c4e9800b3fab460fa2bb8f44
+MISC ChangeLog 13185 SHA256 6e57652fbff20be75975684f1078199e854f7d8c1f56e2f42322e7f198aa0399 SHA512 718095ca9dab70e6d802f94f6e1d2d8a34e805b138228041b483dc5210d2751115fe0daba3df2b850d7dea4fb7358e46971b1ce37872ef59c0516da1d3e4dbd3 WHIRLPOOL 7fc02127f46320fbf0d49cf5830edb80d8e5da213eaadc8d61efe752d50fab17910d0afd66f84edcd176c88a97ff5bb2ca74bfe239c29ff3b8d2878539bb5564
 MISC metadata.xml 1271 SHA256 2de96e89797d150bffc7933de76da6d8bd24619c475e71286c5fb05637d97f0a SHA512 ce273d9f6f947f976ad008187dce9e5efe62f20a521ac7c0eb23550ef8cdcc2a1e61084e55466c84c77cd8d98eb39cac857057bd82ab9c9537d9cdb1c66d19d1 WHIRLPOOL 8177b79250dc0ad4759c0790111671457a91f9bac4bf21e0bbef3001abb558dfa70dcac45bcfef388c7377c1595854f9729d5881b64d4f699d6664407fc8696c
diff --git a/sci-physics/lammps/lammps-20150306.ebuild b/sci-physics/lammps/lammps-20150306.ebuild
new file mode 100644
index 000000000000..64cc30e02d5d
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150306.ebuild
@@ -0,0 +1,212 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20150306.ebuild,v 1.1 2015/03/21 03:13:46 nicolasbock Exp $
+
+EAPI=5
+
+inherit eutils flag-o-matic fortran-2 multilib
+
+convert_month() {
+	case $1 in
+		01) echo Jan
+			;;
+		02) echo Feb
+			;;
+		03) echo Mar
+			;;
+		04) echo Apr
+			;;
+		05) echo May
+			;;
+		06) echo Jun
+			;;
+		07) echo Jul
+			;;
+		08) echo Aug
+			;;
+		09) echo Sep
+			;;
+		10) echo Oct
+			;;
+		11) echo Nov
+			;;
+		12) echo Dec
+			;;
+		*)  echo unknown
+			;;
+	esac
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi static-libs"
+
+DEPEND="
+	mpi? (
+		virtual/blas
+		virtual/lapack
+		virtual/mpi
+	)
+	sci-libs/voro++
+	"
+RDEPEND="${DEPEND}"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+	local LAMMPS_INCLUDEFLAGS
+	LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+	LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
+
+	# The lammps makefile uses CC to indicate the C++ compiler.
+	emake \
+		ARCHIVE=$(tc-getAR) \
+		CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+		F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+		LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+		CCFLAGS="${CXXFLAGS}" \
+		F90FLAGS="${FCFLAGS}" \
+		LINKFLAGS="${LDFLAGS}" \
+		LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+		MPI_INC=$(usex mpi "" "-I../STUBS") \
+		MPI_PATH=$(usex mpi "" "-L../STUBS") \
+		MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+		user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+		"$@"
+}
+
+src_prepare() {
+	# Fix inconsistent use of SHFLAGS.
+	sed -i \
+		-e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+		-e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+		lib/voronoi/Makefile.lammps || die
+
+	# Fix missing .so name.
+	sed -i \
+		-e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+		src/MAKE/Makefile.serial || die
+
+	# Fix makefile in tools.
+	sed -i \
+		-e 's:g++:$(CXX) $(CXXFLAGS):' \
+		-e 's:gcc:$(CC) $(CCFLAGS):' \
+		-e 's:ifort:$(FC) $(FCFLAGS):' \
+		tools/Makefile || die
+}
+
+src_compile() {
+	# Prepare compiler flags.
+	append-cxxflags -fPIC -I../../src
+	append-fflags -fPIC
+
+	# Compile stubs for serial version.
+	use mpi || lmp_emake -C src mpi-stubs
+
+	# Build packages
+	emake -C src yes-asphere
+	emake -C src yes-body
+	emake -C src yes-class2
+	emake -C src yes-colloid
+	emake -C src yes-coreshell
+	emake -C src yes-dipole
+	emake -C src yes-fld
+	#emake -C src yes-gpu
+	emake -C src yes-granular
+	# Need OpenKIM external dependency.
+	#emake -C src yes-kim
+	# Need Kokkos external dependency.
+	#emake -C src yes-kokkos
+	emake -C src yes-kspace
+	emake -C src yes-manybody
+	emake -C src yes-mc
+	lmp_emake -C src yes-meam
+	lmp_emake -j1 -C lib/meam -f Makefile.gfortran
+	emake -C src yes-misc
+	emake -C src yes-molecule
+	#emake -C src yes-mpiio
+	emake -C src yes-opt
+	emake -C src yes-peri
+	emake -C src yes-poems
+	lmp_emake -C lib/poems -f Makefile.g++
+	emake -C src yes-qeq
+	emake -C src yes-reax
+	lmp_emake -j1 -C lib/reax -f Makefile.gfortran
+	emake -C src yes-replica
+	emake -C src yes-rigid
+	emake -C src yes-shock
+	emake -C src yes-snap
+	emake -C src yes-srd
+	emake -C src yes-voronoi
+	emake -C src yes-xtc
+
+	emake -C src yes-user-eff
+	emake -C src yes-user-fep
+	use mpi && emake -C src yes-user-lb
+	emake -C src yes-user-phonon
+	emake -C src yes-user-sph
+
+	if use mpi; then
+		emake -C src yes-user-atc
+		lmp_emake -C lib/atc -f Makefile.g++
+	fi
+
+	if use static-libs; then
+		# Build static library.
+		lmp_emake -C src makelib
+		# Fix bug in Makefile.
+		sed -i -e 's: stubs: mpi-stubs:g' src/Makefile.lib || die
+		lmp_emake -C src -f Makefile.lib serial
+	fi
+
+	# Build shared library.
+	lmp_emake -C src makeshlib
+	# Fix bug in Makefile.
+	sed -i -e 's: stubs: mpi-stubs:g' src/Makefile.shlib || die
+	lmp_emake -C src -f Makefile.shlib serial
+
+	# Compile main executable.
+	lmp_emake -C src serial
+
+	# Compile tools.
+	emake -C tools binary2txt chain micelle2d data2xmovie
+}
+
+src_install() {
+	use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+	newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+	dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+	dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+	newbin src/lmp_serial lmp
+	dobin tools/binary2txt
+	# Don't forget to add header files of optional packages as they are added
+	# to this ebuild. There may also be .mod files from Fortran based
+	# packages.
+	insinto "/usr/include/${PN}"
+	doins -r src/*.h lib/meam/*.mod
+
+	local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+	insinto "/${LAMMPS_POTENTIALS}"
+	doins potentials/*
+	echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+	doenvd 99lammps
+
+	if use examples; then
+		local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+		insinto "${LAMMPS_EXAMPLES}"
+		doins -r examples/*
+	fi
+
+	dodoc README
+	if use doc; then
+		dodoc doc/Manual.pdf
+		dohtml -r doc/*
+	fi
+}