sci-physics/lammps: Adding new version.

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

3 files changed, 219 insertions, 2 deletions

diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index eaab5ba46256..404564c66042 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 1.76 2015/03/20 20:28:45 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.77 2015/03/20 21:48:26 nicolasbock Exp $
+
+*lammps-20150305 (20 Mar 2015)
+
+  20 Mar 2015; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20150305.ebuild:
+  sci-physics/lammps: Adding new version.
 
 *lammps-20150304 (20 Mar 2015)
 
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index a440bfdec708..16dd21bc4a53 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -28,6 +28,7 @@ DIST lammps-30Oct14.tar.gz 59386701 SHA256 b99522370cb2ea3e55c63f401b2bafb0c98f6
 DIST lammps-3Feb15.tar.gz 62848209 SHA256 1520038071774fbe984d74e00d2e86ba778c65c28a99098dc5513230ef6c553f SHA512 4cdac7624e2fadf12a2db23f8f52eb4c31cf61b19e0ec53d9885ce24cb8fbfb9030dc66a468b99434aac569fa16b26010707956326ae7eaf91181cbcf7291134 WHIRLPOOL ff2843ac51359ecd3beb57fc60e98a3735901e489af32b8a6835e463878b26fd1c956ae9e90926d73730d60f103967b1d6517156e04dcfdc2d8b01775a0745a4
 DIST lammps-4Mar15.tar.gz 63497305 SHA256 80a5a18419c5e07c3c89f131edb1f5af59e3e7223b4f46346e48da3f42e3d40c SHA512 7932f1601aa22f43243c91d255e8c6a4ce6f401768ce2c78f22d82dd7d1f33025a1895e9a4436b2b5442f99dffbf1f746f284afe695cbf91f2529f42ec2e81fa WHIRLPOOL 55984c405853d3d8cd1bf73f33ffb0c4a5b6d342b682eb89975657b1e225addfc2d4a041891ce965135557ad771114967ae8756d7f18f93def1b6b2a4013225c
 DIST lammps-5Jan15.tar.gz 61852386 SHA256 0283c06904cec23c1577fd28686be8c61ac7e72ea76bfb8aa7135aba98e13b51 SHA512 4c6dd1b18b25b22f943f6dc439e5cf1d7583cd044b23c423a525457ead47d0b33ab9f9f07ef7a2c1930e7677d78b8b542d47599fa2b19082dbe600188056fef1 WHIRLPOOL b55e802377e08dab8e0cd7b501be0479570b73ddb7c01206b043fd1bb3b27b9c651cfc955885ecfd66cad1881fd03ce4bae40606c09416c7f73a2ab23b05a567
+DIST lammps-5Mar15.tar.gz 63506216 SHA256 19d7fdfa4fba34fb8fec8317e45d2daec0cd55290a4a576640c866acee4288ba SHA512 3d325cc3b451596fe87f15dbe640944752ab05687c86fa39e27a6eb3e990f6de772ea4d4d9abbd6cd6e9bd67965ad96c85e2469eeeac3258f5a29e1cdd48318a WHIRLPOOL 0e8de71e6544c12b83de7dae15a832481665e474c4f9231f23d49c71bb5c242b6411099bd05a0a16604384c6ca27533d56d442704bf4f45d4a1a99b9da40918c
 DIST lammps-5Nov14.tar.gz 58736468 SHA256 18851282c8eec5e99559c4e1fa6673bc49dd8da6091ea61bfe136e1bd1369d2f SHA512 87624cb0bb44a702a416fc763d58017d1ef540d292c7d7c34dad3641950182bf6a173e5fa16d2aa3cdcc42ed34426265d243a7cf50771769fd0a1099873be69e WHIRLPOOL 5c3364017fcc3552ac58f6644bfe4a1d9a3511cbd8afceefb20838d1805f8f421495e1b35942e1055a440c74dae5eb4155e4db2eb759f0edd2af2941497ee5c7
 DIST lammps-5Sep14.tar.gz 66049751 SHA256 e05d5287752a32e3e7fb34f51b080c5f72ee12bf9d453b6098d6998673483f14 SHA512 4fc33c58d7ce4c3776109ed565b5df0b1748156b0f9f1acdb66db9cf17c8fb8717c151eebd5267a0c2adb2ff648ba327c4cdec91c5ce53d361c7d7c8329db516 WHIRLPOOL b961a2d7d9c242ebf20be8a7d735a39bdc2fb5e6af18ad51da759f4bc2a9a9077ca8ed4da424ee4162a7d433eebc0564a26f186e81a96c0d4284b60c89bed965
 DIST lammps-6Aug14.tar.gz 64806245 SHA256 844fa61c95b8bc5ae3bfdf225dfc3d562d8750d1c7b1f1601379e94c4176a682 SHA512 220113eea7f550c15a46f87e5aac2583477bbdb1faf535a221ef36cc0d0b159ebad23e0d9186e5bc9988ccc73c70e2e6af3ca719c982fdc58cf81e1cbf6c4f3a WHIRLPOOL 12fc8180bb16e612af2640f9c1b16911f3ca55ba233b2eec8cbae2c689d397d8ef52177a4bbc6388d0da18202c3795c9b8b3aa8dc4ac935e05204dc825f0dac4
@@ -72,5 +73,6 @@ EBUILD lammps-20150216.ebuild 4990 SHA256 830029c7848e1cdf27aa548716fdb292f4bad4
 EBUILD lammps-20150219.ebuild 4955 SHA256 11423bb22e1968d2280a44cbf004fa977f4832e6244facc672b2028811dc9edb SHA512 037c2a8def0f96aeb89920bdd5743f9bcf1a0c5317eb335c4b078ac6cbb841a069c6b87f8986420317c5a0bb025f1fb8364929796a7913d4d830a330fdc4aad4 WHIRLPOOL 156080a7d0177416c7d113b7ff6bccb4c941001fa748fe631afafaefe8f5d4f97d9adee4fd5e050d0317d9957a64a510d4f68dfabedb027f4da1c6ac48e93279
 EBUILD lammps-20150224.ebuild 4955 SHA256 7b01f730130e59fad8479f993fd8ad87a3bb54946eeea1143ac873ff28372f80 SHA512 7b85015f33f74534f02ad2c918990ce0f0085ab1965e91023e401d5d69be83a1f533aae99134b9792764dbbb8e0304d0908ae7da0063ab9f4a4a6a3aa0ae6dc2 WHIRLPOOL 45adcd4982817dc4856f7af04f572c3a9e538bd2a80a9724096d59511e785c05e095764e216b19e9f13f3b83962014f2fac1f98c496fb9ebd6f618da6f624bd5
 EBUILD lammps-20150304.ebuild 5129 SHA256 a54aed100c0175a1821776bf6ccffbb7236e2e55306d25850f3ef72aa7a329cb SHA512 58c64d157bc6ba56019c55a7d217923d12f13260301105af6de9514c93f9b58fa472bbb58fc49f3b0a7ed30c1c010d6a394213c0a18dd8270e315446f6f40f2f WHIRLPOOL a225802274566b1bbf58b259793752bfc1141450e203e1e14035111f1cfcbbf0f1736462152fa5303377aa030e73c9750e84af2f9ecaf081e757483d285ffe15
-MISC ChangeLog 12879 SHA256 048786c3f21ae540109fbc32db7815b1fcb9c1e9c522564032c16945af6734a3 SHA512 f6d1c09889c3b79fad74d3d424ee1f96b8bc817e2d02e89f9660d3a056f7428b6abea7fcd61c45b8b6d0b25a741565ff8c3ffb3377931364e3b02edd4a3bdea0 WHIRLPOOL bd06df8474a5d4d40d564cb46db189163c57d06967a8b0bfdb6b485aecb63ca4ec83d4f5c1dc924badc1692bd55efecbee0d0b80729fc53553f6a589d5ed0d3b
+EBUILD lammps-20150305.ebuild 5129 SHA256 7807125784a48075648cfb58ed28dbaca2eb17511f7d91accfc6f6567c336386 SHA512 8bb7b68699f3798e707f9bfac0acd120dc2a0fceefda27b68bb17e25bceb8a8ed194a9640c9fc75f49b68509699e4503b9052111cd850e3b6ee9428f44ba7077 WHIRLPOOL 450d89c9db6cb48213146d14ebe719a90bf72c362e63c14ccc717cced919f073f8c92ae1508527ac8cbeb149c1c2bd066d033afcb8758d9cb677be1e209eb395
+MISC ChangeLog 13032 SHA256 6cb1a4899c8b6320a814368e8cefa38747c7f7c6d004787a7e7c2078cbc6c939 SHA512 0adae5c53bc79a86ab37f6201bef80995e2ae1b42ce776f014bda8f6c9afa7e238de66850b36e3ab2a82690a94f70da09f385ddb1a002fe2300b4733b5743178 WHIRLPOOL 2944b01c14167695a415a4b13cbb95cd52867f35d6b091375c10ccb8e5b69717ea4e28569eaa288edd0dfd7ad5bdb94cfeaab1dc514f2b1dd1701694377eef0c
 MISC metadata.xml 1271 SHA256 2de96e89797d150bffc7933de76da6d8bd24619c475e71286c5fb05637d97f0a SHA512 ce273d9f6f947f976ad008187dce9e5efe62f20a521ac7c0eb23550ef8cdcc2a1e61084e55466c84c77cd8d98eb39cac857057bd82ab9c9537d9cdb1c66d19d1 WHIRLPOOL 8177b79250dc0ad4759c0790111671457a91f9bac4bf21e0bbef3001abb558dfa70dcac45bcfef388c7377c1595854f9729d5881b64d4f699d6664407fc8696c
diff --git a/sci-physics/lammps/lammps-20150305.ebuild b/sci-physics/lammps/lammps-20150305.ebuild
new file mode 100644
index 000000000000..c7d34925f77f
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150305.ebuild
@@ -0,0 +1,210 @@
+# 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-20150305.ebuild,v 1.1 2015/03/20 21:48:26 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-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-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
+}