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, 5 deletions

diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index 8140e8049e46..71fb46a36181 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 1.72 2015/02/19 19:58:36 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.73 2015/02/20 20:23:36 nicolasbock Exp $
+
+*lammps-20150219 (20 Feb 2015)
+
+  20 Feb 2015; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20150219.ebuild:
+  sci-physics/lammps: Adding new version.
 
 *lammps-20150216 (19 Feb 2015)
 
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index ab3d82aa0ed2..ae40f546c7d8 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -11,6 +11,7 @@ DIST lammps-15Aug14.tar.gz 65114807 SHA256 de4ad0c90c43c234fb5c4efa179122acdecb5
 DIST lammps-16Feb15.tar.gz 62981941 SHA256 deaac4218a1f016fcd49bf3cf01e26c32ffcecb89d6b61636192baf6f5980392 SHA512 ed4e3270d94d1f4d2ae75728913eaf9fc501cb5512c7ee2f9a2a3ec6369c5d86aa5ca9dba625c961908bdca954b85aa37b6a0b8e5cee67e5cdf1a74b635ff394 WHIRLPOOL 4f8197361be45fa6928d89e8e3d623ed048102aaa1bee3af4c9b53d3baad86e07a78344806955a86094bbd35ec01103c8303f835bf062b36e97cb0f883ae836e
 DIST lammps-17Dec14.tar.gz 61474385 SHA256 5631dec2c446d47a1781b774ee9a41306156190991e8c3f0dfc8905b7070012d SHA512 765c2be9d62c39c498d04ca1faa6f1aca07ea03e298828f1ecd311da16c30553d4663aa4bb57898bff55a941e432ceb35ed9df3458c93cb1906de8aa8bc508e4 WHIRLPOOL 5023d5f2813dfda4be8a154e31f379e2f410cc7fe2a6d98ef084f0776303e3c367d8781759fdb05106ab026e0b3484221658c121d98939a3d9ccd68e39719abe
 DIST lammps-19Dec14.tar.gz 61848823 SHA256 921cc084c7f5c3764548dd282c882aca8320a5e3e3f215fabb92dfd0d67e6d4f SHA512 43cdcdb644a212bee5906686022dae70c996c82c693a0e358b9989415d652894a974c528ed2b750c2ef11fca21d6d6ddc240bcb6c1031503cf1b7bc284a46ac6 WHIRLPOOL cdaa5e785c27fcd5b86d7b3d44e4d2995040cf94864da455aad0101286583cb9924c1b2c69a77bb170b3357c1e74088e359982acef3da50376c9fc5961ddb8e6
+DIST lammps-19Feb15.tar.gz 63160551 SHA256 970ea081e424f631c56a93e0bbd8cf37b67f8b3d707b0c6a84e5d942100a3848 SHA512 f8947dce3143ba3bfaa20e71cde35e519f0074c2654c71037cff5e1b1fc68214431e92529235d8ca61d65c4f1c70945df76b6a97f4e291bd9fe15bbb477112f5 WHIRLPOOL 7bc761796bdad741a5f82416262ace5c45a71b2c765f975586d970e7584c43ac0488051381cf6860491af4b0d702ba1223872825af10365635b2c40785a55591
 DIST lammps-19Jan15.tar.gz 62756608 SHA256 7f51f735010ce71193d0e4b105fb6bd203f21cc92a830eba1c0392d49d510257 SHA512 9340f6ae01507115f31b8b791ffacd5fc9a174fc4a26178db0023bbb16d233c64498348bacb07597d7088cd17319de17bb440f1e6fde483f8866930f4750c43e WHIRLPOOL 79efcf5902c1c31a82c5e3d0b21f32c5212926f1a69c1ed2d9d37681b719f23d39f4ab972f1263aa0a02a8e2155b1c38be243886cbe39b4e5acc28541682c4af
 DIST lammps-1Feb14.tar.gz 57811478 SHA256 2d01ca4f2c52c18a9a95866f558b3f3857b22662415cb44fa16a5be4dd5bfe44 SHA512 aa84766d19d7f9f753792d6c3a9ba9b37faa671b4ae06ae89be6d3485a064326c79dc351cb784e6a03f5e4e046885a791274a64899ef117dd395e583eac13f3c WHIRLPOOL 4921525762c5842fe7bb96420db26553bf2ea3d91bfda52d2a9fad57f205487fe772c878d83e5b4ae146507e3a90509a4ff0b5628ebfda9a5dde82b8b3a95b3b
 DIST lammps-1Feb15.tar.gz 62801871 SHA256 4bae0a1bb8e56db0e657e5df068fd7caf62117624227d82400e39a5e171280d6 SHA512 85b59dfe5f24d30625171711555cc95587f2944ff6bba1914c223dfd422975319e8725a45b9bd2743fbf2e770d3af7ef26dc4b283c1514c429c67e9cab9d6eeb WHIRLPOOL ed1e5626314540e0ee6df0c537af93e5b81a00ee9994a6ccaa9a9ff852d9eefb34d5d5918faf4f605d95beb5758ec46c27a8aea3345392e85c9eb1198380b2ec
@@ -69,12 +70,13 @@ EBUILD lammps-20150206.ebuild 4955 SHA256 b48ee96f619f7f722f52d32e1f4f3946c6dd90
 EBUILD lammps-20150210.ebuild 4955 SHA256 e96f80d5747310782ae7b9c3eb1637b48b7a8761ab517d9556cd3d1b757dd68b SHA512 0517c6f3d4dce7d74a9f78994f0b54c656d5f9d8bb002b379fb2b6a853e4de867a35d86cce3673a9c6ea6b5f7da30b930cf03f9e183f670e0defa81ad682ad9f WHIRLPOOL f5d5e38ad96b7203667c484066458b84022369e895c741d8b78051e58d9e49a4fa654b9941ba99c1339d18f420a06918c8298bc61bb3f07358338ac1a05186eb
 EBUILD lammps-20150213.ebuild 4990 SHA256 de8be7d28c403ff19e860be9949460d277490074de49fd082179d6eebb6681e0 SHA512 6e6a22b4588e7b99bf2a86d01860e74b7a2a9bd199b3e0ece4ccefd48af47c8219a0df1b88c7118988b5bda8449162d8d61ddb317ae7398a9844e57531c6353f WHIRLPOOL 3688c33df07c798c0940d14f1a213b030872cc4a010809049e875dcbfc64c17783e58abe72729da9fdf103a649ca175508f25d491b3344a15f284adb48b5244b
 EBUILD lammps-20150216.ebuild 4990 SHA256 830029c7848e1cdf27aa548716fdb292f4bad471cd2a39af981126fc6c34f183 SHA512 e5d318addbbe7267443c7ddec6e403c507faed85fbb1f0efdd826cf0f998ab120aecd8e19faa226c7ba5f8e0eb604df0a9dfac47981ea1d2c855755a42a1a535 WHIRLPOOL 575ca9c87f665364e9c61cd9ebef15c4b34aaa8b7661b9e0ce53c0f13587291e7ccb1704eb8c1ba1495fb8326a9ba55c97e583a2ea2bc3aab74d9a5186d75a92
-MISC ChangeLog 12312 SHA256 7ee37bf7cad4669c5d54831b9218f980051b7786a7bdde4fadff26f0c0a45240 SHA512 8cf489c7153f56603855f7ed39309db0b65ae643c470f4e6731c663ed6c935bdac814e183b62889a44c0e5098b4d5b04e1c8ce72cae576b49fa1470aa9cb68af WHIRLPOOL 10e8768156a6c53c8f4216aa1a50e77ea054ea5720b63319d0694fb67e31093e94d4a3bd6d094804bb68ea6ae5a20e97adc47739cfb56d377cf601099b80471a
+EBUILD lammps-20150219.ebuild 4955 SHA256 11423bb22e1968d2280a44cbf004fa977f4832e6244facc672b2028811dc9edb SHA512 037c2a8def0f96aeb89920bdd5743f9bcf1a0c5317eb335c4b078ac6cbb841a069c6b87f8986420317c5a0bb025f1fb8364929796a7913d4d830a330fdc4aad4 WHIRLPOOL 156080a7d0177416c7d113b7ff6bccb4c941001fa748fe631afafaefe8f5d4f97d9adee4fd5e050d0317d9957a64a510d4f68dfabedb027f4da1c6ac48e93279
+MISC ChangeLog 12465 SHA256 af1cc2d8817d062b52164e6d5de97310ff698270d6e72c6ed9b1f55ef3749a0c SHA512 21c7615a0fd894db40d3e7e821661d04db8ca0bcba9029400273d8de66120d35c527594ef62826c70ff1de7520db1c29b880b92e5ff453886cb55e87d86e4d50 WHIRLPOOL f0dd4d2b0f9d8e60af678ce4b839719f5175727cd5d9cd6d8d78f14eca6538155c119e2a703048d0a091d1bca4f2292af3e5340ed990a1d0e73f93d84d007e7f
 MISC metadata.xml 1271 SHA256 2de96e89797d150bffc7933de76da6d8bd24619c475e71286c5fb05637d97f0a SHA512 ce273d9f6f947f976ad008187dce9e5efe62f20a521ac7c0eb23550ef8cdcc2a1e61084e55466c84c77cd8d98eb39cac857057bd82ab9c9537d9cdb1c66d19d1 WHIRLPOOL 8177b79250dc0ad4759c0790111671457a91f9bac4bf21e0bbef3001abb558dfa70dcac45bcfef388c7377c1595854f9729d5881b64d4f699d6664407fc8696c
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diff --git a/sci-physics/lammps/lammps-20150219.ebuild b/sci-physics/lammps/lammps-20150219.ebuild
new file mode 100644
index 000000000000..06a6036f6168
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150219.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-20150219.ebuild,v 1.1 2015/02/20 20:23:36 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
+}