sci-physics/lammps: Adding 20141209.

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 99dacece23a2..01ad2b118ed3 100644
--- a/sci-physics/lammps/ChangeLog
+++ b/sci-physics/lammps/ChangeLog
@@ -1,6 +1,11 @@
 # ChangeLog for sci-physics/lammps
 # Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.49 2014/11/24 19:41:32 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.50 2014/12/15 21:25:45 nicolasbock Exp $
+
+*lammps-20141209 (15 Dec 2014)
+
+  15 Dec 2014; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20141209.ebuild:
+  sci-physics/lammps: Adding 20141209.
 
 *lammps-20141123 (24 Nov 2014)
 
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index a05742444ec8..2e67d31eeffb 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -19,6 +19,7 @@ DIST lammps-5Nov14.tar.gz 58736468 SHA256 18851282c8eec5e99559c4e1fa6673bc49dd8d
 DIST lammps-5Sep14.tar.gz 66049751 SHA256 e05d5287752a32e3e7fb34f51b080c5f72ee12bf9d453b6098d6998673483f14 SHA512 4fc33c58d7ce4c3776109ed565b5df0b1748156b0f9f1acdb66db9cf17c8fb8717c151eebd5267a0c2adb2ff648ba327c4cdec91c5ce53d361c7d7c8329db516 WHIRLPOOL b961a2d7d9c242ebf20be8a7d735a39bdc2fb5e6af18ad51da759f4bc2a9a9077ca8ed4da424ee4162a7d433eebc0564a26f186e81a96c0d4284b60c89bed965
 DIST lammps-6Aug14.tar.gz 64806245 SHA256 844fa61c95b8bc5ae3bfdf225dfc3d562d8750d1c7b1f1601379e94c4176a682 SHA512 220113eea7f550c15a46f87e5aac2583477bbdb1faf535a221ef36cc0d0b159ebad23e0d9186e5bc9988ccc73c70e2e6af3ca719c982fdc58cf81e1cbf6c4f3a WHIRLPOOL 12fc8180bb16e612af2640f9c1b16911f3ca55ba233b2eec8cbae2c689d397d8ef52177a4bbc6388d0da18202c3795c9b8b3aa8dc4ac935e05204dc825f0dac4
 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
 EBUILD lammps-20140304.ebuild 4202 SHA256 369265a9f276092833b8b11f7d3e938307dd54468cabdbfc210108945d600991 SHA512 e86a550a9829dd017204afc056d15b1501ebdd59ed85e7f3aeaef26462c047518a72cf7c55a66076c8338ebe21758811a90bad232b267a7dc4a95e3ec5e8b534 WHIRLPOOL b4b3a3dbc984a0c0a6bc416cce2c1f2e11f22d8accc5007db957edc020011d57aaf457c0f91fb261560360bdbf10fa286785389c6fca3eb53b7b696875334db4
 EBUILD lammps-20140310.ebuild 4230 SHA256 ac5aa1bf973aa3ca068fd27a387e80e01758b1cd1fbce1fba730ba2694ba987d SHA512 8d907a4200f0d5989497ef329365868f4999207089f6f61122f80f1643174a26d069b2b80c140bda0c816cd490bb0dc3fd3dffbb4c7338d9fd68b1319273acbd WHIRLPOOL 55ea36b4d956bc2030fb8d4a8cc992549f02410bfaf2780f32849f9f3690e691aaa3f8c4772464e0219f6f30f5c7a9f3d64855eefd4357b02d09ee4ebe568561
@@ -38,12 +39,13 @@ EBUILD lammps-20141021.ebuild 4783 SHA256 204a6d23edb40f52f363536b109d6d7f097a35
 EBUILD lammps-20141030.ebuild 4955 SHA256 05e4eaa92e2553398410e0ac058d92e5ee0ae03d03c1b7fa5af05a3e10badfce SHA512 e9363a8486b176edbd7109ff9a8914e4db8c5c5e5bd60cf801ab919670750dee0a0d5fca104f1079ee6c05c4376db600d651bee0845dbdd1213f073938bdafe8 WHIRLPOOL 57b142f7fd6716c93e39233cff5199983e17a048821626a270acba53f9a55cded724998831540d1816d4612673fb31c56b053f061fd8c328a355dd1485c52dac
 EBUILD lammps-20141105.ebuild 4955 SHA256 561fcc549538eb5487994a665a9f2da0f4b9fc374760da9a66ac9775ab88073b SHA512 f8bd9f07421058c557f880f0a41c49db2bd249452434a57e818b657cb9d4a94e4831e4ae6006b7101b694d1dafca3b73a83d5ff4ff45ebb77c56f07a64311080 WHIRLPOOL 944c7d902ff79d2c0aa95c013ed9ae9ca65306dcb583058b5aa1844d65ac5230767f3baf0d37b562fab9cab3cdca30234b6f9d42a07bb67d2cdcd69158c9e319
 EBUILD lammps-20141123.ebuild 4955 SHA256 3ee3615deb34393976b299b7a70ba4e00ad10b1b67d9386e2029f61672e32c0c SHA512 1f515b2949f0f5a1491bc1b300ce9fafa08d179ad3fc87e11bf3d5d60bf63d135f08cae654fda43727b02f14cefb694e0257c2970a5bdaa62bf153ed2f092846 WHIRLPOOL 6302bfc7c3034e793a61da6f9feba39dbecb249e135b2c2768c9773e2e9261824f137a22c941f7cf2453e5e7b3fb101de8ae19acb277fc355cd2142c7b91a4b4
-MISC ChangeLog 8547 SHA256 f87a40721013dbecd4840e60b01d60cffe7d5fa9c2a84f61291ece73031b21ed SHA512 ba1cfbe021a34283d054c36bda30628809106d25fa02f30b5a36d9d11133ef93e12ffd7bf0e61cdb185e46d5af66bffdab57a3e6e737c8cb39d9f36a9e3a05fe WHIRLPOOL 0bfbc8a58deb1b283f314fae0c8233d54b6c6f0c2d399fe553452c22ce859ab859f70404682ff304548bcd9ffe8ddc961ea969a4fe212dae41bedbcddba21c14
+EBUILD lammps-20141209.ebuild 4955 SHA256 adc05bc66b73d56f83e0778c37055fce2f1eec537f48fa234337df7ffa7acd77 SHA512 f69c66c7bcaddd49b74e682eb160e2ac75a192593694415fe3bda01fbc4649c706a8b47f9ee36251ad0e71d1e75bd109f846047fc9f6ff76fabfdfc76a39d1a2 WHIRLPOOL 7402b164d3ce9e7be1a111d6c4f096b0c55dee5da3c8a7bb03a4beee3df6b11199fbce1ebb102e9a99321343bc3ae6dcd976f0dc5bf511795a010bfcb0536f4a
+MISC ChangeLog 8697 SHA256 c69afb0942c4f56c1b657fa0c71834ec42a1a9b837581f0eb78ffa45cc0b94a3 SHA512 3ff8892a4254ee4dcae3f5c710e61298833d78469ec13d8c790e96cd21ca5c4f9d71d1a5c0ac7fbc1fa7d1dcbb11662e695952f19bc09ad16c326517e43b01a9 WHIRLPOOL c7daf9c9ad348a5f6b924c0e9caefdc3876ba670e01f35b00be622f6fb35c66fd7127fe55bd81196718abae4f9fbde46f9e83fcc336057291959f85225e46d03
 MISC metadata.xml 1337 SHA256 c49d3c9030c88c7cd0b079b4ffe0c8b1251de0c334da7a7059f7fbc68a4ac9b1 SHA512 a5f7e2193663f88104c258f9bdd8e7ab581c1584bad57aea14dab7499fac076db6db26299cad8f273d1fabb7fcf22c1c25461b8cb6f229e489b6bce8195a3782 WHIRLPOOL 2b47343be9bffc283319c0bc96b5a481ad99391bbb8771a9431ac38bb7f1d210470f96d96a4b430251cfb6b424801cbcf5fac0ba04f4a7824323e27e2926842d
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diff --git a/sci-physics/lammps/lammps-20141209.ebuild b/sci-physics/lammps/lammps-20141209.ebuild
new file mode 100644
index 000000000000..e90a7ad65cff
--- /dev/null
+++ b/sci-physics/lammps/lammps-20141209.ebuild
@@ -0,0 +1,206 @@
+# Copyright 1999-2014 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20141209.ebuild,v 1.1 2014/12/15 21:25:45 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\+=.*$:voronoi_SYSPATH =:' \
+		src/VORONOI/Makefile.lammps || die
+
+	# Fix missing .so name.
+	sed -i \
+		-e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+		src/MAKE/Makefile.serial || die
+
+	# Fix makefile in tools.
+	sed -i \
+		-e 's:g++:$(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
+}