sci-physics/lammps: Adding new version.

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

3 files changed, 220 insertions, 5 deletions

diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index ab0f8a5ef729..8140e8049e46 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 1.71 2015/02/19 18:32:04 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.72 2015/02/19 19:58:36 nicolasbock Exp $
+
+*lammps-20150216 (19 Feb 2015)
+
+  19 Feb 2015; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20150216.ebuild:
+  sci-physics/lammps: Adding new version.
 
 *lammps-20150213 (19 Feb 2015)
 
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index dc88522abf77..ab3d82aa0ed2 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -8,6 +8,7 @@ DIST lammps-11Jul14.tar.gz 64634749 SHA256 05a9af6fae3f27e41ee776fb3c306a07c2f80
 DIST lammps-13Feb15.tar.gz 62974524 SHA256 6be39873ff30eaaf467ac201d7f9b06b7fb175c5fcc4687dc38b7e8ab8ac0544 SHA512 20a0e7ba4905cf3e1f57df9bb9ddba298c8ee03e823d920ffa526a6ee318e4c9a5d3319bd79a46441a895c5b03ba0d296a2921f38f5795014f544ec58b3be629 WHIRLPOOL 22e9534dc84a9ce5cc2f5ca0ff693a05cc8afa1f307cac71d739c7504e56a11121acda62cc1d141f2e8f556a4c35bddeeac09cd429cddde531dec115925f4b00
 DIST lammps-14Jun14.tar.gz 64597109 SHA256 cf7d492862c7bbb1865631b8abce34ea8b5edac17a573c8924c4f9b885fccac3 SHA512 fb0d5d58c1abd402d0aa311156f023af9579793b6606f5c449f5bf0b298dc77a0c68198dc2898d9d8f0f84b24bd84fec3d60b1549d60446152b9e18d5f217608 WHIRLPOOL 7336cb8f57aa856ae7b8ca77bbdfb78df9c2a4fd229f58884c302e88dd75aa53c567c22fbdc8c87af032df264dbdd222d23143b23ba5a84dd8e94f5a7a260838
 DIST lammps-15Aug14.tar.gz 65114807 SHA256 de4ad0c90c43c234fb5c4efa179122acdecb5dba6834ec6e42fa7a237ae767c0 SHA512 af61d517ae707ce53f670ec924bb8a55b6e1c2ed67c5343e84696116c2f9d0f716ac5841618600b466462b68fb24e0129e41febbeddd87c68d7672547de3fa9e WHIRLPOOL 0658cdcda382693278b1dc029a59e5fbdda0c4bae43183799486c8c1d85989e509ed7eee9574a862d2fbcb7f533cb718a5f08a23dd4371c41c96296dd7ecc586
+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-19Jan15.tar.gz 62756608 SHA256 7f51f735010ce71193d0e4b105fb6bd203f21cc92a830eba1c0392d49d510257 SHA512 9340f6ae01507115f31b8b791ffacd5fc9a174fc4a26178db0023bbb16d233c64498348bacb07597d7088cd17319de17bb440f1e6fde483f8866930f4750c43e WHIRLPOOL 79efcf5902c1c31a82c5e3d0b21f32c5212926f1a69c1ed2d9d37681b719f23d39f4ab972f1263aa0a02a8e2155b1c38be243886cbe39b4e5acc28541682c4af
@@ -67,12 +68,13 @@ EBUILD lammps-20150203.ebuild 4955 SHA256 72d5ca060ed141d4e489b581ab4e044f93f264
 EBUILD lammps-20150206.ebuild 4955 SHA256 b48ee96f619f7f722f52d32e1f4f3946c6dd900acf65d0ffed04c8833e24311c SHA512 d1e697d8deb2f5c221dc954e7a2460438ed2d91e407b54c48015995834f27c74fec45e3dcf0cb7bdbae045da91a8e87ede81f6ba635ee82b68edd507348ed08f WHIRLPOOL d0319a19ed1f3de463ba1933d10d7f8da4f47ae5e6173c5100acb5077e6474c4e6d0929ce653af75507a976d75f7e7c2172f3601a7bbea7f19e604321393c229
 EBUILD lammps-20150210.ebuild 4955 SHA256 e96f80d5747310782ae7b9c3eb1637b48b7a8761ab517d9556cd3d1b757dd68b SHA512 0517c6f3d4dce7d74a9f78994f0b54c656d5f9d8bb002b379fb2b6a853e4de867a35d86cce3673a9c6ea6b5f7da30b930cf03f9e183f670e0defa81ad682ad9f WHIRLPOOL f5d5e38ad96b7203667c484066458b84022369e895c741d8b78051e58d9e49a4fa654b9941ba99c1339d18f420a06918c8298bc61bb3f07358338ac1a05186eb
 EBUILD lammps-20150213.ebuild 4990 SHA256 de8be7d28c403ff19e860be9949460d277490074de49fd082179d6eebb6681e0 SHA512 6e6a22b4588e7b99bf2a86d01860e74b7a2a9bd199b3e0ece4ccefd48af47c8219a0df1b88c7118988b5bda8449162d8d61ddb317ae7398a9844e57531c6353f WHIRLPOOL 3688c33df07c798c0940d14f1a213b030872cc4a010809049e875dcbfc64c17783e58abe72729da9fdf103a649ca175508f25d491b3344a15f284adb48b5244b
-MISC ChangeLog 12159 SHA256 4c1d09f32e95253f5bab99c382e066ceb00d80cc6454a7e23f99a2ce568eb205 SHA512 b4103592709746ba2a34051cce3a2c0765fed215b6c4abfe3351e528ebc0eec702faa4f84169ed6a02e9dde5a300cb6bee258869b30ac3a88f21c97b29f619e3 WHIRLPOOL ad9300b4927226e3d06b6eb4b785e142c822db25ec00db252a3662cd92c8975880d40b74eaa0c738fb5de78f578313fba6ad5cf7fe5c231b07a4ca9cefb725aa
+EBUILD lammps-20150216.ebuild 4990 SHA256 830029c7848e1cdf27aa548716fdb292f4bad471cd2a39af981126fc6c34f183 SHA512 e5d318addbbe7267443c7ddec6e403c507faed85fbb1f0efdd826cf0f998ab120aecd8e19faa226c7ba5f8e0eb604df0a9dfac47981ea1d2c855755a42a1a535 WHIRLPOOL 575ca9c87f665364e9c61cd9ebef15c4b34aaa8b7661b9e0ce53c0f13587291e7ccb1704eb8c1ba1495fb8326a9ba55c97e583a2ea2bc3aab74d9a5186d75a92
+MISC ChangeLog 12312 SHA256 7ee37bf7cad4669c5d54831b9218f980051b7786a7bdde4fadff26f0c0a45240 SHA512 8cf489c7153f56603855f7ed39309db0b65ae643c470f4e6731c663ed6c935bdac814e183b62889a44c0e5098b4d5b04e1c8ce72cae576b49fa1470aa9cb68af WHIRLPOOL 10e8768156a6c53c8f4216aa1a50e77ea054ea5720b63319d0694fb67e31093e94d4a3bd6d094804bb68ea6ae5a20e97adc47739cfb56d377cf601099b80471a
 MISC metadata.xml 1271 SHA256 2de96e89797d150bffc7933de76da6d8bd24619c475e71286c5fb05637d97f0a SHA512 ce273d9f6f947f976ad008187dce9e5efe62f20a521ac7c0eb23550ef8cdcc2a1e61084e55466c84c77cd8d98eb39cac857057bd82ab9c9537d9cdb1c66d19d1 WHIRLPOOL 8177b79250dc0ad4759c0790111671457a91f9bac4bf21e0bbef3001abb558dfa70dcac45bcfef388c7377c1595854f9729d5881b64d4f699d6664407fc8696c
 -----BEGIN PGP SIGNATURE-----
 Version: GnuPG v2
 
-iEYEAREIAAYFAlTmLCgACgkQf15tZKyRylK4QwCdGHDEuyhpgOCQGkZRZ7/e2s14
-DEAAoJTXwqwl9pFDw6FnR5L/WlDiV3hq
-=4gBf
+iEYEAREIAAYFAlTmQG8ACgkQf15tZKyRylKUKQCgtjLCaHdwPiQii+Qq+W3iVauZ
+meoAoLawI9j69TX47NAdyvojFfw7HTeY
+=G+Ja
 -----END PGP SIGNATURE-----
diff --git a/sci-physics/lammps/lammps-20150216.ebuild b/sci-physics/lammps/lammps-20150216.ebuild
new file mode 100644
index 000000000000..ecc8e04a8f16
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150216.ebuild
@@ -0,0 +1,208 @@
+# 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-20150216.ebuild,v 1.1 2015/02/19 19:58:36 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) $(FCFLAGS):' \
+		tools/Makefile || die
+
+	epatch "${FILESDIR}/chunk.patch"
+}
+
+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
+}