sci-physics/lammps: Added 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 da0e58dc8ae2..3c2a64d5301b 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 1.67 2015/02/08 04:20:50 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.68 2015/02/08 13:46:11 nicolasbock Exp $
+
+*lammps-20150206 (08 Feb 2015)
+
+  08 Feb 2015; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20150206.ebuild:
+  sci-physics/lammps: Added new version.
 
 *lammps-20150203 (08 Feb 2015)
 
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index ad0699c72af8..18d93d3dbd87 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -27,6 +27,7 @@ DIST lammps-5Jan15.tar.gz 61852386 SHA256 0283c06904cec23c1577fd28686be8c61ac7e7
 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
+DIST lammps-6Feb15.tar.gz 62909412 SHA256 3bc26f6d7eaf31c7846b83dd3020f95b2bad13d8acb0b4ea5ebc058849e98e86 SHA512 27e9d7dbacc90372a6ae85cc7a238883759417d09711fe223dfc9872e00e80e641e34bbcc5c924e3963a719e6c17e9cd890fa236c86265c7b734a1c26c66355a WHIRLPOOL 0391c69da9ca3f03281b109c20f981f8a85e63ce20a7afcb762cb2b3b2297016d3dab78a71ea5c4e6c0b98c6a5ce7cbec92c59daaf670686204a688299f7dd09
 DIST lammps-6Jan15.tar.gz 61856773 SHA256 8a46420d189e071c0019b2f14594d32026816bd9da269c1733932b75a98a52ff SHA512 a6a54cc5f78414e92977b6cb77076ef23b31e1ca6ed4129ba286d403b41aee6217a0136ba5f35a0f20baa15976c61f75abec840179173411bf6f4f314e06d389 WHIRLPOOL 133ea1ad548a3803074248281c3dcff874f59b712fa59bf7fb92d21559608123caaef3811ce8191519ffe08dc89f5eb5dbcdd1a8341cfad1b1558e8700c6606e
 DIST lammps-8Aug14.tar.gz 65050504 SHA256 f7324db760b39f64ff926d1c4b034cd8d122f31e368d939ad39ccba2c33c4585 SHA512 8dc2f6adc0ff5cd7f53801728b1b078c289bb9e40a16bcd3fb0252b159c6e51705f61f264a004cebca53c57d1073e74c6fc633f3c442a12a14e4b1eb6715abea WHIRLPOOL d700b504c91c7744447a84c48abc1b4015ec67ff1c6fb5d85d6504395a1cdadc9d4dd0cd777a6b14cfc0c0c8f0685286f92e2d68b2ff2ee85a37db4626bd43f7
 DIST lammps-9Dec14.tar.gz 61465046 SHA256 01724976608413e049d197a12b8608321220a9a15a7c3d7706babd1ab9e21de1 SHA512 30ae88f930bea43adbbe217cf6b4d9f257d16f707f95d60e6a07358b0633578dae767fd348f656061e10d9783fff2a59118bbf902569bd70bb77f682fd7fd666 WHIRLPOOL 5cccbe3da9e00316c660d721ece7fa0d208edbf3c94845c06d15d08f5e5852cc11919aae78fcb02f7f9109e5e478f2d52c299dc20be3877cb378e636701c0579
@@ -60,12 +61,13 @@ EBUILD lammps-20150130.ebuild 4955 SHA256 ce95fb847a1aeb66766c13dcb70267c576b6f0
 EBUILD lammps-20150201.ebuild 4955 SHA256 793a647b362c150b4cc7b97cc705d301deab548373b42cd1406564ad58bb75aa SHA512 b84d70c83d5710f78a167a221c8152370ae55366a967f0a863f30c13eb81ebdbf6877f256193d4bda209f4e913da0234abf0e98f24844f4e764191f4bdaeffdd WHIRLPOOL 4d7962b2180262f4aef5837f8523c0465528d9eb6bcd0c3a675d1edd6c56e4c5b7624f6d8fbb81cb016077ec8b065cfea611ec9e4140ae27ab0a9952c346c167
 EBUILD lammps-20150202.ebuild 4955 SHA256 4d6eea969d29fbaf070992b394a8458a21adb9249c238b87abc13be44bae2eac SHA512 c92db0dc460e22b6611354922e6689b961e98a7a1cb20c0e8157365cd3fb93cb9b9bb96e4066762c27383369750345191e5e5944d8e89b338f38c85fb4e1cfb9 WHIRLPOOL 20e82e13b3e9023fce6355b9d87b0530b30f571e54e773363554d3f09fbf23bbdd25811a0ec20db0df17385d198fff43051f5dd17be323a003ae3e20caa2f9bd
 EBUILD lammps-20150203.ebuild 4955 SHA256 72d5ca060ed141d4e489b581ab4e044f93f264e24176fc7f5ba8ba9ca421d856 SHA512 f22e84ae026112034ffd64e8868c5278c54e6e789f399a89fa1ca7703c709fa711a1cbfb8ab1ec238a5c5e1cfabe011956943959eb759bfad38a7276496100d5 WHIRLPOOL ac576ee84099d4523cf64feaf047074f43763fa61de1bf9f7975b0da4ffbe753298e20086d8f47e6329853e4b3580f8aa15e8147fc5b29c32144109b4bfa6aee
-MISC ChangeLog 11397 SHA256 f2fed286440fb77064121e408509417ea9fcc0978b552fbbb694b5c6236e7041 SHA512 7fa0ae08b122d6d6dc452c4bbb3f6064bae47ba9fc02683247feb7e4b440d2b7e5a2538c7f3b2f0182eec4ff04152d319035d5d45572433ab04f3d9e394550d2 WHIRLPOOL ff8df395bf2d159fb55e830b74717c4f97f9f1608cf1bd764604bd768ef88b7cece80d1c6fabb8a5fd97c9f2108915301351f25171354467cfee20262038d52d
+EBUILD lammps-20150206.ebuild 4955 SHA256 b48ee96f619f7f722f52d32e1f4f3946c6dd900acf65d0ffed04c8833e24311c SHA512 d1e697d8deb2f5c221dc954e7a2460438ed2d91e407b54c48015995834f27c74fec45e3dcf0cb7bdbae045da91a8e87ede81f6ba635ee82b68edd507348ed08f WHIRLPOOL d0319a19ed1f3de463ba1933d10d7f8da4f47ae5e6173c5100acb5077e6474c4e6d0929ce653af75507a976d75f7e7c2172f3601a7bbea7f19e604321393c229
+MISC ChangeLog 11549 SHA256 87ccb20d1c6cad8e0e44691e52245855f482914435fc2898a2fcd8a8e65654c9 SHA512 82e3b6e59f4320e3c2d38ce750ca5083b8cdb5f5c289cfff0998dc5f5b5f017a7c21af4b112c770b1ace55071a1afcda04b7dbec28726cc0de83eb6e3f39ebd8 WHIRLPOOL 6a0e31c48e98ebd2fb1141d2da89e2e40389fc3f609ae70f7922e5436ad7d6e37a27cbc256bc4b1f01be69e559f798e430fbd89a78a3e6b0a119e71b0c949fc0
 MISC metadata.xml 1271 SHA256 2de96e89797d150bffc7933de76da6d8bd24619c475e71286c5fb05637d97f0a SHA512 ce273d9f6f947f976ad008187dce9e5efe62f20a521ac7c0eb23550ef8cdcc2a1e61084e55466c84c77cd8d98eb39cac857057bd82ab9c9537d9cdb1c66d19d1 WHIRLPOOL 8177b79250dc0ad4759c0790111671457a91f9bac4bf21e0bbef3001abb558dfa70dcac45bcfef388c7377c1595854f9729d5881b64d4f699d6664407fc8696c
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diff --git a/sci-physics/lammps/lammps-20150206.ebuild b/sci-physics/lammps/lammps-20150206.ebuild
new file mode 100644
index 000000000000..9b965ccf9b0b
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150206.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-20150206.ebuild,v 1.1 2015/02/08 13:46:11 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
+}