sci-physics/lammps: Adding new version.

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

3 files changed, 221 insertions, 2 deletions

diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index f8f0eb07200d..5ceca37f1127 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 1.85 2015/03/23 15:32:40 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.86 2015/03/23 17:30:45 nicolasbock Exp $
+
+*lammps-20150314 (23 Mar 2015)
+
+  23 Mar 2015; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20150314.ebuild:
+  sci-physics/lammps: Adding new version.
 
   23 Mar 2015; Nicolas Bock <nicolasbock@gentoo.org> -lammps-20140201.ebuild,
   metadata.xml:
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index eb8d2dde5de6..5d528bc0793b 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -2,6 +2,7 @@ AUX chunk.patch 608 SHA256 1e8eae1e25b0975c949efda91fb97899ca4bedc99f40dbb23eaab
 DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
 DIST lammps-12Mar15.tar.gz 63521532 SHA256 048dc4d5f9f4d26d6f9bfeb4e20bb48cd01d3b064fb0b091309218c0895dbb3e SHA512 2581d795adcde9ef7bd10ebea5cfa1897835849c8aea112b8d45614e2eabb610316c6f7cba94b5324203b08382d31bdb17a3031d4d7f1ef4e951c35a08eda6f3 WHIRLPOOL 7fd33fed676b5b833dd053d79e64d090aa8384b462026147ee9e62313e937abaaef1d95d04c152254b2a1593f8b0baa077e5b68f85cb9f461f7128363a50214e
 DIST lammps-13Feb15.tar.gz 62974524 SHA256 6be39873ff30eaaf467ac201d7f9b06b7fb175c5fcc4687dc38b7e8ab8ac0544 SHA512 20a0e7ba4905cf3e1f57df9bb9ddba298c8ee03e823d920ffa526a6ee318e4c9a5d3319bd79a46441a895c5b03ba0d296a2921f38f5795014f544ec58b3be629 WHIRLPOOL 22e9534dc84a9ce5cc2f5ca0ff693a05cc8afa1f307cac71d739c7504e56a11121acda62cc1d141f2e8f556a4c35bddeeac09cd429cddde531dec115925f4b00
+DIST lammps-14Mar15.tar.gz 63563980 SHA256 10dba8d347a7ab7a5ba3e4a87f555177cb0ad5cbf4bcee4125cca5e67cb31dfa SHA512 99dd8fece0ec220f324a0c9dc14b80260119c1038afd4312ad85d6672a65164a6cee6625677f8ef337962677b82d4a0c7b2ca361d004dfd9fb0083c5b7eb1737 WHIRLPOOL 1fc20a1d388d575c3313a65d601b2f099464767c1585f601a961269317fcb320bb9b8dda7a7e4122808d8234d120300a379ba4d119c32d2dcc9ad0e5616893b2
 DIST lammps-16Feb15.tar.gz 62981941 SHA256 deaac4218a1f016fcd49bf3cf01e26c32ffcecb89d6b61636192baf6f5980392 SHA512 ed4e3270d94d1f4d2ae75728913eaf9fc501cb5512c7ee2f9a2a3ec6369c5d86aa5ca9dba625c961908bdca954b85aa37b6a0b8e5cee67e5cdf1a74b635ff394 WHIRLPOOL 4f8197361be45fa6928d89e8e3d623ed048102aaa1bee3af4c9b53d3baad86e07a78344806955a86094bbd35ec01103c8303f835bf062b36e97cb0f883ae836e
 DIST lammps-19Feb15.tar.gz 63160551 SHA256 970ea081e424f631c56a93e0bbd8cf37b67f8b3d707b0c6a84e5d942100a3848 SHA512 f8947dce3143ba3bfaa20e71cde35e519f0074c2654c71037cff5e1b1fc68214431e92529235d8ca61d65c4f1c70945df76b6a97f4e291bd9fe15bbb477112f5 WHIRLPOOL 7bc761796bdad741a5f82416262ace5c45a71b2c765f975586d970e7584c43ac0488051381cf6860491af4b0d702ba1223872825af10365635b2c40785a55591
 DIST lammps-1Feb15.tar.gz 62801871 SHA256 4bae0a1bb8e56db0e657e5df068fd7caf62117624227d82400e39a5e171280d6 SHA512 85b59dfe5f24d30625171711555cc95587f2944ff6bba1914c223dfd422975319e8725a45b9bd2743fbf2e770d3af7ef26dc4b283c1514c429c67e9cab9d6eeb WHIRLPOOL ed1e5626314540e0ee6df0c537af93e5b81a00ee9994a6ccaa9a9ff852d9eefb34d5d5918faf4f605d95beb5758ec46c27a8aea3345392e85c9eb1198380b2ec
@@ -31,5 +32,6 @@ EBUILD lammps-20150304.ebuild 5129 SHA256 a54aed100c0175a1821776bf6ccffbb7236e2e
 EBUILD lammps-20150305.ebuild 5129 SHA256 7807125784a48075648cfb58ed28dbaca2eb17511f7d91accfc6f6567c336386 SHA512 8bb7b68699f3798e707f9bfac0acd120dc2a0fceefda27b68bb17e25bceb8a8ed194a9640c9fc75f49b68509699e4503b9052111cd850e3b6ee9428f44ba7077 WHIRLPOOL 450d89c9db6cb48213146d14ebe719a90bf72c362e63c14ccc717cced919f073f8c92ae1508527ac8cbeb149c1c2bd066d033afcb8758d9cb677be1e209eb395
 EBUILD lammps-20150306.ebuild 5179 SHA256 f828047af1693586ddbd41a395bcaf9c27ce080e4efba9077f1054adeda7ba16 SHA512 367d0269af4b293f68470ef164c91419836ef49203617d8f5b6fecc80c850d0208b14151cea78db03ac157dfab20b641acf98875cf3feaa1fca58644938bd0b9 WHIRLPOOL d5dd08f6e5be9d6b19c2adc69561ef49f92b70698092103c9940bbb383fdad741a223fa9111983d8a8029ba4e0f6459c02c6ac94c4e9800b3fab460fa2bb8f44
 EBUILD lammps-20150312.ebuild 5082 SHA256 ecb723ccda7e15bb6eaccf1dec08e94efb363c6b41eca548ded1045eded6870d SHA512 8fb321ab448d94894c95cd1f7ee7948718522b044820e5cb1cbe31f640e9ea7a439f61cc5fa1b1757732c135c7b763d240d3cf35937843a94691c8e70aa42c79 WHIRLPOOL 634b04b5d56cf979e8f96be491a31185b0593cb87e2f1229f2427c7fd3d127589a0ea6a531bdee5dcf34e154684a2fdc355d3fd50640651c9eaf10bf059b14dd
-MISC ChangeLog 14611 SHA256 2d381862404ad5c4f104ad91b250c2dd6814362862b953eb84d81e581f646528 SHA512 1c44fcfe30583c1934316015a585287f2057b7363bf1671b61c53dbd11267d20682e731ce3d56dcf389f57d2cb81e7d78675d0e38063966499ccdfd76ca0841a WHIRLPOOL 0698415cbf2c9005cf06a90b7caea9caa60d73c7819288ce46dfbd5d52847e0830b9abe947e4f9705f9750bfdacb36376bbb01fc8c21a5974e9cabc28246cbac
+EBUILD lammps-20150314.ebuild 5082 SHA256 938cbfeab4bb3e6bd198df79eb358e3e52992d3e5ff8c348deb446ef1f414e51 SHA512 fe8183f44a1f4790a77bc4e1692b943841166d3161018d2987103ca61229237c97e0d04bbf1ed728d19883736257e20e3b08daa1af147d17378b0100a1fe049c WHIRLPOOL 6fddbe1bf5b3f4e649d1edee3097cc2d9a907a787700b29ed23549c34aa4a27bd4dd99eeebc7a22d3f42d933f161e95f7affdae7d4674b3b5a544463322ba04c
+MISC ChangeLog 14764 SHA256 961da8bea7eac96ed6f179f7d8c73d5836593a0063dd6780194835971707c49d SHA512 984fa0187d4f31c77afe27c09ca71375469e7a083dd97caee2f0b28b0540ffae9e587ac3a29deb5e154f7a7ebf5cfc9fd36438ee5e91fa20e2e3d22d62696ef5 WHIRLPOOL 83a0037eab11cd1794552cd53cef2893d2dbddd309067065d710244c573122acb99b55b810d42120007408b0ec91c10701dca9f898fb59d7f7931a7e06a5a070
 MISC metadata.xml 1104 SHA256 cd019e3b907b935374e9818167b4a9c406d938cf132b6656a7aed15fb8070d4c SHA512 9fa9919de32eb24c720fecbb449112b997e331b4ecb37aba8cdfcf90bc832e00ff8deef570f8eb92341f8c82b90787d65befa9ebeacb904abb467b8f3e1c5054 WHIRLPOOL 88fbd760afe74c12310ed3417e8c6d242b282bc78fee612b1c0c1dd1532ec9253f7b5134a9fb8f463f9fe469ce1d5fada43b97b348c221c84869907cfc0dd37e
diff --git a/sci-physics/lammps/lammps-20150314.ebuild b/sci-physics/lammps/lammps-20150314.ebuild
new file mode 100644
index 000000000000..4d67562f1844
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150314.ebuild
@@ -0,0 +1,212 @@
+# 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-20150314.ebuild,v 1.1 2015/03/23 17:30:45 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/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi static static-libs"
+
+DEPEND="
+	mpi? (
+		virtual/blas
+		virtual/lapack
+		virtual/mpi
+	)
+	sci-libs/voro++
+	"
+RDEPEND="${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 mpi-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-coreshell
+	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-qeq
+	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
+
+	if use mpi; then
+		emake -C src yes-user-atc
+		lmp_emake -C lib/atc -f Makefile.g++
+	fi
+	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 static-libs; then
+		# Build static library.
+		lmp_emake -C src mode=lib serial
+	fi
+
+	# Build shared library.
+	lmp_emake -C src mode=shlib serial
+
+	# Compile main executable.
+	if use static; then
+		lmp_emake -C src serial
+	else
+		lmp_emake -C src mode=shexe serial
+	fi
+
+	# Compile tools.
+	emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+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/$(get_libdir)/liblammps.so.0
+	newbin src/lmp_serial lmp
+	dobin tools/binary2txt
+	dobin tools/chain
+	dobin tools/data2xmovie
+	dobin tools/micelle2d
+	# Don't forget to add header files of optional packages as they are added
+	# to this ebuild. There may also be .mod files from Fortran based
+	# packages.
+	insinto "/usr/include/${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
+}