sci-physics/lammps: Adding new version.

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

diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index 4808e662b6333b736d9898095b34046bd63b497a..1b07df8d7cc198fdeba7379f134430ad4642c6cb 100644 (file)
--- 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 1.90 2015/04/11 19:08:23 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.91 2015/04/11 20:43:19 nicolasbock Exp $
+
+*lammps-20150402 (11 Apr 2015)
+
+  11 Apr 2015; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20150402.ebuild:
+  sci-physics/lammps: Adding new version.
 
 *lammps-20150329 (11 Apr 2015)
 

diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 3b22cc53bd6174a307ed72853e2c87c41345de18..5f15c8b87e089b974dca126ed0beaf484c1a65e2 100644 (file)
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -16,6 +16,7 @@ DIST lammps-25Mar15.tar.gz 63800289 SHA256 c39575a93b136108b54c08ebb888a3b32f6d2
 DIST lammps-28Jun14.tar.gz 64598325 SHA256 3dc8f415f076c5b1563e25c06ddf360a7234c0b3428c561764a13618f80fb233 SHA512 568a00249dd88d0ad94714d2b388855376d020a34b546f9f54142b761e95515c1fce44bbbc9db2538a5a9b8335b8ac9e2905b875e954da18831087a3021df0e2 WHIRLPOOL 9d283de197c6e7216c60ed3f34bcd0a55baab925ab4d025717f1bee8a7e8b668c67bf008a9a9a807361c8f5ade36e362afdf7ac9ef6c3ed6d856389591483354
 DIST lammps-28Mar15.tar.gz 63832997 SHA256 c965d1bb5d48857d4892b33bcec677d3c01f87f9be2032785b31a2a85e86528c SHA512 fdfeba6fcddc691a7c2dc285a37129a5875d03ddd3dec168de806b4d6e22886a83ac64da589a41ae1eb5296fd266e37f7a89c9e4957a1da2c866c556f6e564f6 WHIRLPOOL 8f9e58cdec95c61e4787be1eb83fe748caea16030233c361990471f9224df0cc6e69512984a926d97f2d462a9eacf60376b19e84a2ac0079f6c5794caf089eba
 DIST lammps-29Mar15.tar.gz 63838616 SHA256 3f508c7ee1c2160f79c111817a20f381171c3fd304779de25b0feb1d4e805593 SHA512 5f04fb48507f0d4be42bd4b6475767b69ba91b7ddeb1a302fe15f5a168a13b93da1b21d1ab634f708229071a7ef59c96a7775ab7956e901257f8dbd89e60155c WHIRLPOOL ad134397769190e934b7a0a6739792369b3bb078503eae151a5610fbbd1d50f457e53cacb07b9e00d5c2adb3d06945d08ce36f0b04b25dcc66e52af085b8271b
+DIST lammps-2Apr15.tar.gz 63842016 SHA256 fb715b9b1d5ecbe6d54fef11095871edebaa2a3b5368b8dc3b3cf03b0def2334 SHA512 aaef91656f955c712e2d838a4fd713427919076896fd4e5206b2479b35cd772e5098913148c44883d1c5b71535ea26f7c1213aac11a9291d7dacccc698c7b661 WHIRLPOOL ae4c51b23bcb48d21333507813c5c10381b49214670a202e909b53f55205c0fc34cb538f58b9e265f5550b22e3def64a0a087347bfdf638cd0aa04be1ce4c999
 DIST lammps-2Feb15.tar.gz 62843740 SHA256 34a385dde4e6c4436feaad9d188401a1616ba4fc41b4ff802a2af7cdc66a33ec SHA512 b8fc645ced67571857f89793113fe98eab5c9d44990de4ca9bd46ad3c88e1041986f1f71bc0cd9d5a917a27ba44ebee2e8f3eb0c68df7f9d4f11a2bb73b3d748 WHIRLPOOL ecfaa4f26b55597553b20e38824c1628a071508edb123813c57cc8c0660505a3aaa9012aab6adabdb7be0a7a180284430f773086669b020c226125848cd8aadf
 DIST lammps-30Oct14.tar.gz 59386701 SHA256 b99522370cb2ea3e55c63f401b2bafb0c98f6b28b9af76fb8339e9bd4a3ae205 SHA512 9b9952ec098c17abd9af085d546869a60ba421a380abcd0be3c425e3c1495394417bfee8d8097c99f54131e286a325d736e766e1ae7239bf45ca44c737611c2c WHIRLPOOL b8ad0078b883455cd7e8f06c0ad8f43eefe7d1c158af58baa42ad179154f09f68077d8fb31c22abccedf06daa344e4abb7f3edcc16d9e69e9d2c458f4fda1085
 DIST lammps-3Feb15.tar.gz 62848209 SHA256 1520038071774fbe984d74e00d2e86ba778c65c28a99098dc5513230ef6c553f SHA512 4cdac7624e2fadf12a2db23f8f52eb4c31cf61b19e0ec53d9885ce24cb8fbfb9030dc66a468b99434aac569fa16b26010707956326ae7eaf91181cbcf7291134 WHIRLPOOL ff2843ac51359ecd3beb57fc60e98a3735901e489af32b8a6835e463878b26fd1c956ae9e90926d73730d60f103967b1d6517156e04dcfdc2d8b01775a0745a4
@@ -45,16 +46,17 @@ EBUILD lammps-20150318.ebuild 5232 SHA256 1acae503e112f81106dd3dd1f34444ce16df2d
 EBUILD lammps-20150325.ebuild 5521 SHA256 503e9f3ec4f532b4eff9a0b6f2866ee603dd96cff49283fe168aa351dd9e86bf SHA512 bb235f0b1c503a9c8017b874b43adecb0b722be2b3f566238ebc7e0e8982c211ffa52c7436e8f56de28357e86692812fbae8f4306ce30745676e81fce8da052b WHIRLPOOL 1d2347b66cb42b612f0d76d8f44b9f1a85c9cf9bcc69a3259414ce786c93216cf07a419902125eb5af9820d161c1a3f49cec3be21886cb97655f577556b13563
 EBUILD lammps-20150328.ebuild 5521 SHA256 2d9f2bc4a92b0e4feac0841e4f399287d6a9214672f8384fde3bb1e7067f5bba SHA512 655d3e7ba357e2a6f7dabf4be788fdc9ac08f0c60fe45583c66354bf2ce94473ffbe177c48a27cae000c757c65f46b8bf06285f047cf3a1a40f42d83bd0cc186 WHIRLPOOL 3b3fcbb70fb18e779ff2befc512504b898fcafd8f03570fef47fc5023b223906da2cc658a8eb631951b51f4418aaa74c074e139150212c78e08c15bb11dd9eaf
 EBUILD lammps-20150329.ebuild 5521 SHA256 df3a7f71ac4859491e06af4612e01de0e99593de35b46787b442b281381a6e68 SHA512 c0c1d2e173f5ee6251b57f49ea0a85eb0850bb8147635c2f6fdedc503df90c1b59f04bf1c3712737941e37c9c7ea273276809053d49af280a532f2a799804125 WHIRLPOOL 76eb92953a39c8759d7b1dcf237e9cbdced56d9a95388dc2dd56a74bf83100b5e39d56cbc1993e404e3f9c357104ae768481b4ec973a4f3ea8388d4bcd0d5837
-MISC ChangeLog 15407 SHA256 02fc8a12afc73dc6aa48c3d1cdcd870480effdc47bc4a3dd4926f26ef1657005 SHA512 e40dccfd3107b4a296d686716aaa00f1f6864a1cf83e42a0fda76339dd130327289b373de9e23a1c4e32b53852a7334d2a801988392b767b68b5c139ec1ff8d7 WHIRLPOOL d86dc12986337151c6a59a87383b3bca60f7d31c0b401b9bbff15c2542a07eac2442394fd862abee9a47d059adb061a562ef95837733b7aa903b35ec0445a724
+EBUILD lammps-20150402.ebuild 5521 SHA256 1de0818c7362674917a09b51cb7a4456194f49c0fb392b2f65dd9e5864248481 SHA512 b5e53c3a00af57556b8a9c9924c93265c09818dba89530ef73eb78716b96972f0c040ee987763de916c58bd07dd49df43618494e8b06ffdca965bb88cc9da72a WHIRLPOOL 2cb4e79ec1c04ae27ff4dfa2a7c215dae9235ba6577d95411d25bcc7cf7e47a98eab760bb3ef5462d0693b1f7f3ea0ef536c2a5cebae2296e791d1ccf5ab96de
+MISC ChangeLog 15560 SHA256 ecbca28af726a3c13745c74a3c5c2350b7f5d2bf5beedfbe85d8e28c96df9bf8 SHA512 2681598d7f82e6175054229752353dc08e4e7dbe274716ffdb2326c5ec11923bd292a4f262243ec2f46617d1aca4fda8177ad484651f7909243ce6499f5c4b25 WHIRLPOOL 9b26b9b1e80f85580586e0cfb819aeaf23d20fe0111687e43bc76c2068bac49534ce15e46d1a3f89669a0841ca86ece2d57009622dcbcf945ccd2025716a335b
 MISC metadata.xml 1104 SHA256 cd019e3b907b935374e9818167b4a9c406d938cf132b6656a7aed15fb8070d4c SHA512 9fa9919de32eb24c720fecbb449112b997e331b4ecb37aba8cdfcf90bc832e00ff8deef570f8eb92341f8c82b90787d65befa9ebeacb904abb467b8f3e1c5054 WHIRLPOOL 88fbd760afe74c12310ed3417e8c6d242b282bc78fee612b1c0c1dd1532ec9253f7b5134a9fb8f463f9fe469ce1d5fada43b97b348c221c84869907cfc0dd37e
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diff --git a/sci-physics/lammps/lammps-20150402.ebuild b/sci-physics/lammps/lammps-20150402.ebuild
new file mode 100644 (file)
index 0000000..ddc1fc7
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150402.ebuild
@@ -0,0 +1,222 @@
+# 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-20150402.ebuild,v 1.1 2015/04/11 20:43:19 nicolasbock Exp $
+
+EAPI=5
+
+PYTHON_COMPAT=( python2_7 )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+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 python static-libs"
+
+DEPEND="
+       mpi? (
+               virtual/blas
+               virtual/lapack
+               virtual/mpi
+       )
+       sci-libs/voro++
+       python? ( ${PYTHON_DEPS} )
+       "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${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) $(FCFLAGS):' \
+               tools/Makefile || die
+
+       # Add a python shebang.
+       epatch "${FILESDIR}/python-shebang.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 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. The shared library is always built, and
+       # mode=shexe is simply a way to re-use the object files built in the
+       # "shlib" step when linking the executable. The executable is not actually
+       # using the shared library.
+       lmp_emake -C src mode=shexe serial
+
+       # 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}${LAMMPS_POTENTIALS}" > 99lammps
+       doenvd 99lammps
+
+       # Install python script.
+       use python && python_foreach_impl python_domodule python/lammps.py
+
+       if use examples; then
+               local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+               insinto "${LAMMPS_EXAMPLES}"
+               doins -r examples/*
+       fi
+
+       dodoc README
+       if use doc; then
+               dodoc doc/Manual.pdf
+               dohtml -r doc/*
+       fi
+}