sci-physics/lammps: Added 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 24f788c6d3e314434f9fd8f5fbd55449765b343f..da0e58dc8ae2775ecbe29bb09737fae9f3107a41 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 1.66 2015/02/07 16:02:41 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.67 2015/02/08 04:20:50 nicolasbock Exp $
+
+*lammps-20150203 (08 Feb 2015)
+
+  08 Feb 2015; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20150203.ebuild:
+  sci-physics/lammps: Added new version.
 
 *lammps-20150202 (07 Feb 2015)
 

diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 22eff7cbf51cd3864b5bd71f2738cf958a37b8c8..ad0699c72af8b362d55b36e31dd87229cf1b8809 100644 (file)
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -22,6 +22,7 @@ DIST lammps-28Jun14.tar.gz 64598325 SHA256 3dc8f415f076c5b1563e25c06ddf360a7234c
 DIST lammps-2Feb15.tar.gz 62843740 SHA256 34a385dde4e6c4436feaad9d188401a1616ba4fc41b4ff802a2af7cdc66a33ec SHA512 b8fc645ced67571857f89793113fe98eab5c9d44990de4ca9bd46ad3c88e1041986f1f71bc0cd9d5a917a27ba44ebee2e8f3eb0c68df7f9d4f11a2bb73b3d748 WHIRLPOOL ecfaa4f26b55597553b20e38824c1628a071508edb123813c57cc8c0660505a3aaa9012aab6adabdb7be0a7a180284430f773086669b020c226125848cd8aadf
 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-3Feb15.tar.gz 62848209 SHA256 1520038071774fbe984d74e00d2e86ba778c65c28a99098dc5513230ef6c553f SHA512 4cdac7624e2fadf12a2db23f8f52eb4c31cf61b19e0ec53d9885ce24cb8fbfb9030dc66a468b99434aac569fa16b26010707956326ae7eaf91181cbcf7291134 WHIRLPOOL ff2843ac51359ecd3beb57fc60e98a3735901e489af32b8a6835e463878b26fd1c956ae9e90926d73730d60f103967b1d6517156e04dcfdc2d8b01775a0745a4
 DIST lammps-5Jan15.tar.gz 61852386 SHA256 0283c06904cec23c1577fd28686be8c61ac7e72ea76bfb8aa7135aba98e13b51 SHA512 4c6dd1b18b25b22f943f6dc439e5cf1d7583cd044b23c423a525457ead47d0b33ab9f9f07ef7a2c1930e7677d78b8b542d47599fa2b19082dbe600188056fef1 WHIRLPOOL b55e802377e08dab8e0cd7b501be0479570b73ddb7c01206b043fd1bb3b27b9c651cfc955885ecfd66cad1881fd03ce4bae40606c09416c7f73a2ab23b05a567
 DIST lammps-5Nov14.tar.gz 58736468 SHA256 18851282c8eec5e99559c4e1fa6673bc49dd8da6091ea61bfe136e1bd1369d2f SHA512 87624cb0bb44a702a416fc763d58017d1ef540d292c7d7c34dad3641950182bf6a173e5fa16d2aa3cdcc42ed34426265d243a7cf50771769fd0a1099873be69e WHIRLPOOL 5c3364017fcc3552ac58f6644bfe4a1d9a3511cbd8afceefb20838d1805f8f421495e1b35942e1055a440c74dae5eb4155e4db2eb759f0edd2af2941497ee5c7
 DIST lammps-5Sep14.tar.gz 66049751 SHA256 e05d5287752a32e3e7fb34f51b080c5f72ee12bf9d453b6098d6998673483f14 SHA512 4fc33c58d7ce4c3776109ed565b5df0b1748156b0f9f1acdb66db9cf17c8fb8717c151eebd5267a0c2adb2ff648ba327c4cdec91c5ce53d361c7d7c8329db516 WHIRLPOOL b961a2d7d9c242ebf20be8a7d735a39bdc2fb5e6af18ad51da759f4bc2a9a9077ca8ed4da424ee4162a7d433eebc0564a26f186e81a96c0d4284b60c89bed965
@@ -58,12 +59,13 @@ EBUILD lammps-20150121.ebuild 4955 SHA256 c27c597213237b7ea7c389ac97ff2deb308581
 EBUILD lammps-20150130.ebuild 4955 SHA256 ce95fb847a1aeb66766c13dcb70267c576b6f0f62452c7f5fda69330e53a261c SHA512 bde6075fa80428b2738fb71eb714878ebe9bb42d8b703038422b522ca3a037fe4f5c169185d0e8c441cfb275d8c9d8c45f0f4e65e44f064be37763b8a18a8a57 WHIRLPOOL a00e1fcdebfb255f1c2583151551ca9839a3d238bd7ab695535f5e04af36b322ff864a4f1a96101a932bfd1ea3522bb605d6fd2506ea7ea05c6bed96a0ad83ce
 EBUILD lammps-20150201.ebuild 4955 SHA256 793a647b362c150b4cc7b97cc705d301deab548373b42cd1406564ad58bb75aa SHA512 b84d70c83d5710f78a167a221c8152370ae55366a967f0a863f30c13eb81ebdbf6877f256193d4bda209f4e913da0234abf0e98f24844f4e764191f4bdaeffdd WHIRLPOOL 4d7962b2180262f4aef5837f8523c0465528d9eb6bcd0c3a675d1edd6c56e4c5b7624f6d8fbb81cb016077ec8b065cfea611ec9e4140ae27ab0a9952c346c167
 EBUILD lammps-20150202.ebuild 4955 SHA256 4d6eea969d29fbaf070992b394a8458a21adb9249c238b87abc13be44bae2eac SHA512 c92db0dc460e22b6611354922e6689b961e98a7a1cb20c0e8157365cd3fb93cb9b9bb96e4066762c27383369750345191e5e5944d8e89b338f38c85fb4e1cfb9 WHIRLPOOL 20e82e13b3e9023fce6355b9d87b0530b30f571e54e773363554d3f09fbf23bbdd25811a0ec20db0df17385d198fff43051f5dd17be323a003ae3e20caa2f9bd
-MISC ChangeLog 11245 SHA256 b977d7ef6053e1894ad40d103b9add489d417cfcb02b61aafdba45494b77b749 SHA512 7f336e5d62d8e864d5845ca843b4d12eedfdcf552849d72c489a0243b3c459b1dd12e97c223a3468a28d3594376db20aea638934ae24ae62210bd0555be27b60 WHIRLPOOL 5e89e848f5a66e37c42476b06e80ce3b33a8c08293f7e7693fb53167f481bb47c7947155a09cc1b573796647eec6c860a3514dbde28fd718e394962a92c8077a
+EBUILD lammps-20150203.ebuild 4955 SHA256 72d5ca060ed141d4e489b581ab4e044f93f264e24176fc7f5ba8ba9ca421d856 SHA512 f22e84ae026112034ffd64e8868c5278c54e6e789f399a89fa1ca7703c709fa711a1cbfb8ab1ec238a5c5e1cfabe011956943959eb759bfad38a7276496100d5 WHIRLPOOL ac576ee84099d4523cf64feaf047074f43763fa61de1bf9f7975b0da4ffbe753298e20086d8f47e6329853e4b3580f8aa15e8147fc5b29c32144109b4bfa6aee
+MISC ChangeLog 11397 SHA256 f2fed286440fb77064121e408509417ea9fcc0978b552fbbb694b5c6236e7041 SHA512 7fa0ae08b122d6d6dc452c4bbb3f6064bae47ba9fc02683247feb7e4b440d2b7e5a2538c7f3b2f0182eec4ff04152d319035d5d45572433ab04f3d9e394550d2 WHIRLPOOL ff8df395bf2d159fb55e830b74717c4f97f9f1608cf1bd764604bd768ef88b7cece80d1c6fabb8a5fd97c9f2108915301351f25171354467cfee20262038d52d
 MISC metadata.xml 1271 SHA256 2de96e89797d150bffc7933de76da6d8bd24619c475e71286c5fb05637d97f0a SHA512 ce273d9f6f947f976ad008187dce9e5efe62f20a521ac7c0eb23550ef8cdcc2a1e61084e55466c84c77cd8d98eb39cac857057bd82ab9c9537d9cdb1c66d19d1 WHIRLPOOL 8177b79250dc0ad4759c0790111671457a91f9bac4bf21e0bbef3001abb558dfa70dcac45bcfef388c7377c1595854f9729d5881b64d4f699d6664407fc8696c
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diff --git a/sci-physics/lammps/lammps-20150203.ebuild b/sci-physics/lammps/lammps-20150203.ebuild
new file mode 100644 (file)
index 0000000..6dd8aa5
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150203.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-20150203.ebuild,v 1.1 2015/02/08 04:20:50 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
+}