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 b7f84fe522485bb1615dc7aac9a6923488a0ea01..85552faa121bf798775da7c8f2d5cb6c04021910 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 1.63 2015/02/01 13:47:16 ago Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.64 2015/02/03 17:21:39 nicolasbock Exp $
+
+*lammps-20150130 (03 Feb 2015)
+
+  03 Feb 2015; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20150130.ebuild:
+  sci-physics/lammps: Adding new version.
 
   01 Feb 2015; Agostino Sarubbo <ago@gentoo.org> lammps-20141209.ebuild:
   Stable for x86, wrt bug #537372

diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 345f286542fb85223cc5107ad9553731b3dcccee..884ddb0774c2e1039f7632f9c7bbb5bf1b897bf9 100644 (file)
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -18,6 +18,7 @@ DIST lammps-24Nov14.tar.gz 60502342 SHA256 e50384847ce1a4cfe217157f59e34f66c44b9
 DIST lammps-25Sep14.tar.gz 65394390 SHA256 bb1fecc9f66f2cd2ca235058edaff135250a5468d945572d4f21744fa6b88df8 SHA512 b23ecc8cd5c33f19ea5cc0227f627b785f68fa1df9419276ae1a94dd9eb758ab8505e5413a59549e4923205231f5aa539d18626343d3d1e726b401654a6bd4be WHIRLPOOL 0b382266f5096e70410971174ed3bdf1b18d0d858d18f5997dea8a66d9f3de069f630d0802f27b2ab1ca20fbe8ea0fe529362d169cb0cca823869fba3a73357f
 DIST lammps-26Nov14.tar.gz 61445197 SHA256 c3d577ec0be132a0f4b3f22f51bcefe6184d42e1ad4e12983d15528fde4298f9 SHA512 78d6ae2d241931dcc8aa6f268f7fdf105361565f9d5d64234ba8505dc8a4f465ef5ba91cb5145448b1aec7820a5fc884de62145e1b2ae99caf81bd148f009902 WHIRLPOOL c9ca16efe1ad1f892e8d92cd74b51e25c666590e4f4f6d48a87a1626e8ad5f2f01a30584bff74c74e2415cd7a7fade059438319514b05f0098784d23fb362afb
 DIST lammps-28Jun14.tar.gz 64598325 SHA256 3dc8f415f076c5b1563e25c06ddf360a7234c0b3428c561764a13618f80fb233 SHA512 568a00249dd88d0ad94714d2b388855376d020a34b546f9f54142b761e95515c1fce44bbbc9db2538a5a9b8335b8ac9e2905b875e954da18831087a3021df0e2 WHIRLPOOL 9d283de197c6e7216c60ed3f34bcd0a55baab925ab4d025717f1bee8a7e8b668c67bf008a9a9a807361c8f5ade36e362afdf7ac9ef6c3ed6d856389591483354
+DIST lammps-30Jan15.tar.gz 62799073 SHA256 f4fd77d4cbb6b952bfd714824097a7b5a015c9273786393b62f8f1a30f1a0f2c SHA512 aee8db0e6632986258c0bb90e4968cc66671d0decf145a50e9f30dbb4dd4517805d85c45d80fbd22f52876a6036ed243dcc49f5143d64e675c391c7c50e9ee28 WHIRLPOOL 7a920dcfc2260e367f521847d9fbe0fb6b700de26f9f857533b4253995feb49d49ebea65e55f85d287e2db28796c23a3bfafcf60b58f37e5582eb801db27b389
 DIST lammps-30Oct14.tar.gz 59386701 SHA256 b99522370cb2ea3e55c63f401b2bafb0c98f6b28b9af76fb8339e9bd4a3ae205 SHA512 9b9952ec098c17abd9af085d546869a60ba421a380abcd0be3c425e3c1495394417bfee8d8097c99f54131e286a325d736e766e1ae7239bf45ca44c737611c2c WHIRLPOOL b8ad0078b883455cd7e8f06c0ad8f43eefe7d1c158af58baa42ad179154f09f68077d8fb31c22abccedf06daa344e4abb7f3edcc16d9e69e9d2c458f4fda1085
 DIST lammps-5Jan15.tar.gz 61852386 SHA256 0283c06904cec23c1577fd28686be8c61ac7e72ea76bfb8aa7135aba98e13b51 SHA512 4c6dd1b18b25b22f943f6dc439e5cf1d7583cd044b23c423a525457ead47d0b33ab9f9f07ef7a2c1930e7677d78b8b542d47599fa2b19082dbe600188056fef1 WHIRLPOOL b55e802377e08dab8e0cd7b501be0479570b73ddb7c01206b043fd1bb3b27b9c651cfc955885ecfd66cad1881fd03ce4bae40606c09416c7f73a2ab23b05a567
 DIST lammps-5Nov14.tar.gz 58736468 SHA256 18851282c8eec5e99559c4e1fa6673bc49dd8da6091ea61bfe136e1bd1369d2f SHA512 87624cb0bb44a702a416fc763d58017d1ef540d292c7d7c34dad3641950182bf6a173e5fa16d2aa3cdcc42ed34426265d243a7cf50771769fd0a1099873be69e WHIRLPOOL 5c3364017fcc3552ac58f6644bfe4a1d9a3511cbd8afceefb20838d1805f8f421495e1b35942e1055a440c74dae5eb4155e4db2eb759f0edd2af2941497ee5c7
@@ -52,22 +53,13 @@ EBUILD lammps-20150110.ebuild 4955 SHA256 bb11a28949f4be32bda40fbf81f9fd07db6411
 EBUILD lammps-20150119.ebuild 4955 SHA256 2a6a94da7122cdce1d09fe0a11bbecf842b6380984b68b9b8a09c0f47c4ecb99 SHA512 91b83e8afb518b6993c8f8433b71f911278eb64b22e49450e429c647c848b5462a18faea1f7ec74a9a85dc9d7776c3c29ceb58c886fbb4d2578d581a6f2315cd WHIRLPOOL 1dcaee70cc17ef54dc07cc70212202c8ba2b29d2b1e603f574ed58b8cff510453d08d08d6c5f6bac07039e7757d8b4da7636600d5da15464ce60da8f49bd4452
 EBUILD lammps-20150120.ebuild 4955 SHA256 5b9475034ec13c839c11fd4d345f6b47d0395ba3e8fcfae1bf395c26a95a989d SHA512 9c28143f553ce72d5cc72a1cd5fb25980691f6f022a8225cbe696f1c54c36b5933a3d6bd7ee82be756b2cd2d38704942799b78fa5ae65c4aea57de6b5ec70224 WHIRLPOOL aae2d5c25304fae7083df04510f6bf28f0ca841ed8f700dcfa43a1e1dbae16301fea5568cca8e03f32cd4a016221c49ad98ed492e4f1ac9786e073ca2ac81835
 EBUILD lammps-20150121.ebuild 4955 SHA256 c27c597213237b7ea7c389ac97ff2deb30858143bbfdba490bc227f0f1951cde SHA512 ab39749b4fd4ad2011fa26b0cb08abf83582745ef8708de4b437ceab93eb0f69af779d712e75ce9ef1b00e3770ccb5355b8b8750f95b9429e673a763b60fcad8 WHIRLPOOL 6ef57865e6a2f4e92b9b4ac26e79b2adc80541293c8d792af7de4da26f3b55f60392850159a914f9e51f142e3b92fdac979cc10ad82c8119b0f4bfc3abc136bf
-MISC ChangeLog 10778 SHA256 b469956bab61fa40ba8b7c7112f6d450ac241d51e0751285b1533108def17159 SHA512 5052784aa90d73200c3567851aad855f43ad5822bb2019e7151afeb1685124fb7c66549b21b0ef2515d03f40a63888e5b3c0b0fc81ec33a3650c5cd1b3a57c04 WHIRLPOOL 10218a427d45bcf766e034cc6bfcf80a9a2b8c74cac4eb920dabb53c32ee29c81b80678a90f2300766ef90e9c3ac1aaa5bcf909b7af50077ebfcfec1abd42cb7
+EBUILD lammps-20150130.ebuild 4955 SHA256 ce95fb847a1aeb66766c13dcb70267c576b6f0f62452c7f5fda69330e53a261c SHA512 bde6075fa80428b2738fb71eb714878ebe9bb42d8b703038422b522ca3a037fe4f5c169185d0e8c441cfb275d8c9d8c45f0f4e65e44f064be37763b8a18a8a57 WHIRLPOOL a00e1fcdebfb255f1c2583151551ca9839a3d238bd7ab695535f5e04af36b322ff864a4f1a96101a932bfd1ea3522bb605d6fd2506ea7ea05c6bed96a0ad83ce
+MISC ChangeLog 10939 SHA256 7faaee9d60e1e6da008cd90b16b3f6113525dac53c74d722febf272e9d5f3c15 SHA512 5189e23935f38958cb7002e2662f47068c1d68e2280e70c3dae20e7ccb70d0a6b2ae0995cb7d6cf011f3f2852d7c6bd07b5db793483430cf6237ec46e17b19cd WHIRLPOOL cebfc6efc0166012ac478039204a7a8b4254e376d9429985f7e20568e05a0f935f65397aa60d30be5c0074377c528c72372268bce6e22ae5a34c288c14d1d722
 MISC metadata.xml 1271 SHA256 2de96e89797d150bffc7933de76da6d8bd24619c475e71286c5fb05637d97f0a SHA512 ce273d9f6f947f976ad008187dce9e5efe62f20a521ac7c0eb23550ef8cdcc2a1e61084e55466c84c77cd8d98eb39cac857057bd82ab9c9537d9cdb1c66d19d1 WHIRLPOOL 8177b79250dc0ad4759c0790111671457a91f9bac4bf21e0bbef3001abb558dfa70dcac45bcfef388c7377c1595854f9729d5881b64d4f699d6664407fc8696c
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diff --git a/sci-physics/lammps/lammps-20150130.ebuild b/sci-physics/lammps/lammps-20150130.ebuild
new file mode 100644 (file)
index 0000000..5daf44c
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150130.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-20150130.ebuild,v 1.1 2015/02/03 17:21:39 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
+}