sci-physics/lammps: Adding new version.

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

3 files changed, 218 insertions, 15 deletions

diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index 3a292156c46c..c66cb9b91db6 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 1.74 2015/02/25 15:31:22 ago Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.75 2015/02/26 22:20:13 nicolasbock Exp $
+
+*lammps-20150224 (26 Feb 2015)
+
+  26 Feb 2015; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20150224.ebuild:
+  sci-physics/lammps: Adding new version.
 
   25 Feb 2015; Agostino Sarubbo <ago@gentoo.org> lammps-20141030.ebuild:
   Stable for x86, wrt bug #534042
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 9734fb0afc27..8b88f3fc9b14 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -20,6 +20,7 @@ DIST lammps-21Jan15.tar.gz 62794305 SHA256 29b45158acc1103e569e1ff343e2413775c1b
 DIST lammps-21Oct14.tar.gz 58596371 SHA256 58ed8d560246a5bf48a681c156113d7746c654cac85e9aa9e10fff6bf38fa99e SHA512 0a10267089292530cc1c9895b0b9e1a2cba403a1b1f7e8ff20dea7a2921739c7d5042bae28bca5f1312b9dc1ab03170b1d5dd9141a3ff7d98507aa0e22d42b3c WHIRLPOOL 711376ca17e4cf6ae6a9a98d386a5970777b9b03dfac60087cd7c10d92a0c6e05996709a253f72936c5e14b465ccec2dedaa1aa6bcb07930be75213700e531f0
 DIST lammps-22Dec14.tar.gz 61849416 SHA256 5af96596829fe5cd0a4b8663a98578de02df7f4b792ac8ead0ffd4055b6504b0 SHA512 2924320d6dd0eb3770dd5475d5df9876238c3f087e20d871d3ab2ff2fb778423b49873d8a37c0281872d3c4224839563b62de8551dbad94613542081dc721bc4 WHIRLPOOL 5959e13346edd49aa4d05f51c9c3eaf0dc476eacb25e64aa46436540e37d298695db11bd9536bbbddbac63bdf9994c463a06510dfe3232585147665d14ddff3e
 DIST lammps-23Nov14.tar.gz 59427460 SHA256 1b106ac3d679f1441dbba6fedd71e3740142a2845eb55b368e903b23c25801eb SHA512 5745576d64cde0a1fe42c3d79f36d708d46eae88ee6ab34601291845d4cce073460d4b68f617b32bfd099406fcbff31e7c25e6825b5efa9f08d051b23742714e WHIRLPOOL 20ed10717fa0590367dc6a01ddc63a48202376ca452d6235c49e617e127bbef456dc00cff960567ff90b5a0e32993a38ce6c0a218e516bbdcdf923050e2b5fd6
+DIST lammps-24Feb15.tar.gz 63487709 SHA256 f8a42d4fcd3c3b6591898cddee2fae6f29ecfd11bf688b2ae81896360181bdef SHA512 42777481fd6551fc14010c256bcd5665a42b52e79026860eca89724edb50df9e4af6566553e51954cf0c9099e4cc9c982e07cb4a99ec31e07fdb225ee5e7e219 WHIRLPOOL 140566ede55929e528c91da1903bda7667028183bf1d4294c441f98877675af206d66fa476167469f5e1f83aee969635a53c6a56d7eac3eb6d646cf5400d6472
 DIST lammps-24Nov14.tar.gz 60502342 SHA256 e50384847ce1a4cfe217157f59e34f66c44b988d5d4dbabac5d2afeaea3bdb35 SHA512 13e64fa8f954fdf5c8167a4b74ee4086747426a2969c6d31ff9b853f24b67eb5810943cb9bc5f9f8bb4aebdffa12485697b2818f404529743d63e6f876d6d339 WHIRLPOOL fb885311beac1fc731f72117936b9a64a8c8ab0f89dc38a2462ff970a52ee7c897c66da71c30aa7e25e7f2b007e79d7ebb0175c934ade0a76eb6e56a5374e925
 DIST lammps-25Sep14.tar.gz 65394390 SHA256 bb1fecc9f66f2cd2ca235058edaff135250a5468d945572d4f21744fa6b88df8 SHA512 b23ecc8cd5c33f19ea5cc0227f627b785f68fa1df9419276ae1a94dd9eb758ab8505e5413a59549e4923205231f5aa539d18626343d3d1e726b401654a6bd4be WHIRLPOOL 0b382266f5096e70410971174ed3bdf1b18d0d858d18f5997dea8a66d9f3de069f630d0802f27b2ab1ca20fbe8ea0fe529362d169cb0cca823869fba3a73357f
 DIST lammps-26Nov14.tar.gz 61445197 SHA256 c3d577ec0be132a0f4b3f22f51bcefe6184d42e1ad4e12983d15528fde4298f9 SHA512 78d6ae2d241931dcc8aa6f268f7fdf105361565f9d5d64234ba8505dc8a4f465ef5ba91cb5145448b1aec7820a5fc884de62145e1b2ae99caf81bd148f009902 WHIRLPOOL c9ca16efe1ad1f892e8d92cd74b51e25c666590e4f4f6d48a87a1626e8ad5f2f01a30584bff74c74e2415cd7a7fade059438319514b05f0098784d23fb362afb
@@ -71,22 +72,13 @@ EBUILD lammps-20150210.ebuild 4955 SHA256 e96f80d5747310782ae7b9c3eb1637b48b7a87
 EBUILD lammps-20150213.ebuild 4990 SHA256 de8be7d28c403ff19e860be9949460d277490074de49fd082179d6eebb6681e0 SHA512 6e6a22b4588e7b99bf2a86d01860e74b7a2a9bd199b3e0ece4ccefd48af47c8219a0df1b88c7118988b5bda8449162d8d61ddb317ae7398a9844e57531c6353f WHIRLPOOL 3688c33df07c798c0940d14f1a213b030872cc4a010809049e875dcbfc64c17783e58abe72729da9fdf103a649ca175508f25d491b3344a15f284adb48b5244b
 EBUILD lammps-20150216.ebuild 4990 SHA256 830029c7848e1cdf27aa548716fdb292f4bad471cd2a39af981126fc6c34f183 SHA512 e5d318addbbe7267443c7ddec6e403c507faed85fbb1f0efdd826cf0f998ab120aecd8e19faa226c7ba5f8e0eb604df0a9dfac47981ea1d2c855755a42a1a535 WHIRLPOOL 575ca9c87f665364e9c61cd9ebef15c4b34aaa8b7661b9e0ce53c0f13587291e7ccb1704eb8c1ba1495fb8326a9ba55c97e583a2ea2bc3aab74d9a5186d75a92
 EBUILD lammps-20150219.ebuild 4955 SHA256 11423bb22e1968d2280a44cbf004fa977f4832e6244facc672b2028811dc9edb SHA512 037c2a8def0f96aeb89920bdd5743f9bcf1a0c5317eb335c4b078ac6cbb841a069c6b87f8986420317c5a0bb025f1fb8364929796a7913d4d830a330fdc4aad4 WHIRLPOOL 156080a7d0177416c7d113b7ff6bccb4c941001fa748fe631afafaefe8f5d4f97d9adee4fd5e050d0317d9957a64a510d4f68dfabedb027f4da1c6ac48e93279
-MISC ChangeLog 12565 SHA256 e0e118dbc1f3b44f971cdc21d195d3c50905c382fdfba9b88c4a08e8f791ddb4 SHA512 dff7b125236c0ad3ef48c82275d0605b0cba4f1fa060cc2f16e03ab96253c995691a5d5a275a0a8fa696dec29083c2a89104afc9443cb56177d2f0bb900da374 WHIRLPOOL 39e60f6bd3124ade7a0832d3f87fbf1512bf10bb1b5d97e8594275be8cbbe767d8db6258accd814a9ef7f83768d598dd5b53f7d1e2bc485a99188e570682b048
+EBUILD lammps-20150224.ebuild 4955 SHA256 7b01f730130e59fad8479f993fd8ad87a3bb54946eeea1143ac873ff28372f80 SHA512 7b85015f33f74534f02ad2c918990ce0f0085ab1965e91023e401d5d69be83a1f533aae99134b9792764dbbb8e0304d0908ae7da0063ab9f4a4a6a3aa0ae6dc2 WHIRLPOOL 45adcd4982817dc4856f7af04f572c3a9e538bd2a80a9724096d59511e785c05e095764e216b19e9f13f3b83962014f2fac1f98c496fb9ebd6f618da6f624bd5
+MISC ChangeLog 12726 SHA256 fa40de9d523aec526d7a826779de23a5aca6052d40cb195675290dc8d3ed8261 SHA512 953faad3c5a9492742206649efaf415ce8af32e8a920909dbb83ba64448b3e2b1609b3cf06add04ee7deb87a03f779feb0e9f07dee90757f5279927978023095 WHIRLPOOL 7dede756b529268fdbafab5d07298c22dbc2ef504bf6b8a9c31b23a56ec52e1fe2b652e45a558d712654b94ba432408fb26d85975f8dc9930a66bbf1be610a98
 MISC metadata.xml 1271 SHA256 2de96e89797d150bffc7933de76da6d8bd24619c475e71286c5fb05637d97f0a SHA512 ce273d9f6f947f976ad008187dce9e5efe62f20a521ac7c0eb23550ef8cdcc2a1e61084e55466c84c77cd8d98eb39cac857057bd82ab9c9537d9cdb1c66d19d1 WHIRLPOOL 8177b79250dc0ad4759c0790111671457a91f9bac4bf21e0bbef3001abb558dfa70dcac45bcfef388c7377c1595854f9729d5881b64d4f699d6664407fc8696c
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diff --git a/sci-physics/lammps/lammps-20150224.ebuild b/sci-physics/lammps/lammps-20150224.ebuild
new file mode 100644
index 000000000000..d139c0548961
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150224.ebuild
@@ -0,0 +1,206 @@
+# 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-20150224.ebuild,v 1.1 2015/02/26 22:20:13 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) $(FCFLAGS):' \
+		tools/Makefile || die
+}
+
+src_compile() {
+	# Prepare compiler flags.
+	append-cxxflags -fPIC -I../../src
+	append-fflags -fPIC
+
+	# Compile stubs for serial version.
+	use mpi || lmp_emake -C src stubs
+
+	# Build packages
+	emake -C src yes-asphere
+	emake -C src yes-body
+	emake -C src yes-class2
+	emake -C src yes-colloid
+	emake -C src yes-dipole
+	emake -C src yes-fld
+	#emake -C src yes-gpu
+	emake -C src yes-granular
+	# Need OpenKIM external dependency.
+	#emake -C src yes-kim
+	# Need Kokkos external dependency.
+	#emake -C src yes-kokkos
+	emake -C src yes-kspace
+	emake -C src yes-manybody
+	emake -C src yes-mc
+	lmp_emake -C src yes-meam
+	lmp_emake -j1 -C lib/meam -f Makefile.gfortran
+	emake -C src yes-misc
+	emake -C src yes-molecule
+	#emake -C src yes-mpiio
+	emake -C src yes-opt
+	emake -C src yes-peri
+	emake -C src yes-poems
+	lmp_emake -C lib/poems -f Makefile.g++
+	emake -C src yes-reax
+	lmp_emake -j1 -C lib/reax -f Makefile.gfortran
+	emake -C src yes-replica
+	emake -C src yes-rigid
+	emake -C src yes-shock
+	emake -C src yes-snap
+	emake -C src yes-srd
+	emake -C src yes-voronoi
+	emake -C src yes-xtc
+
+	emake -C src yes-user-eff
+	emake -C src yes-user-fep
+	use mpi && emake -C src yes-user-lb
+	emake -C src yes-user-phonon
+	emake -C src yes-user-sph
+
+	if use mpi; then
+		emake -C src yes-user-atc
+		lmp_emake -C lib/atc -f Makefile.g++
+	fi
+
+	if use static-libs; then
+		# Build static library.
+		lmp_emake -C src makelib
+		lmp_emake -C src -f Makefile.lib serial
+	fi
+
+	# Build shared library.
+	lmp_emake -C src makeshlib
+	lmp_emake -C src -f Makefile.shlib serial
+
+	# Compile main executable.
+	lmp_emake -C src serial
+
+	# Compile tools.
+	emake -C tools binary2txt chain micelle2d data2xmovie
+}
+
+src_install() {
+	use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+	newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+	dosym liblammps.so.0.0.0 /usr/$(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
+}