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 95d3920d216792b2337291da2eededef21205df1..61878d4c0c20347c5e518b813f7a002e2683b223 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 1.58 2015/01/13 14:24:21 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.59 2015/01/20 13:06:52 nicolasbock Exp $
+
+*lammps-20150119 (20 Jan 2015)
+
+  20 Jan 2015; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20150119.ebuild:
+  sci-physics/lammps: Adding new version.
 
 *lammps-20150110 (13 Jan 2015)
 

diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 1c145c6c30a6c19d4faa2408cc422edae14b0af1..0460e609531e4edc30a2221a378618515437c7b8 100644 (file)
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -7,6 +7,7 @@ DIST lammps-14Jun14.tar.gz 64597109 SHA256 cf7d492862c7bbb1865631b8abce34ea8b5ed
 DIST lammps-15Aug14.tar.gz 65114807 SHA256 de4ad0c90c43c234fb5c4efa179122acdecb5dba6834ec6e42fa7a237ae767c0 SHA512 af61d517ae707ce53f670ec924bb8a55b6e1c2ed67c5343e84696116c2f9d0f716ac5841618600b466462b68fb24e0129e41febbeddd87c68d7672547de3fa9e WHIRLPOOL 0658cdcda382693278b1dc029a59e5fbdda0c4bae43183799486c8c1d85989e509ed7eee9574a862d2fbcb7f533cb718a5f08a23dd4371c41c96296dd7ecc586
 DIST lammps-17Dec14.tar.gz 61474385 SHA256 5631dec2c446d47a1781b774ee9a41306156190991e8c3f0dfc8905b7070012d SHA512 765c2be9d62c39c498d04ca1faa6f1aca07ea03e298828f1ecd311da16c30553d4663aa4bb57898bff55a941e432ceb35ed9df3458c93cb1906de8aa8bc508e4 WHIRLPOOL 5023d5f2813dfda4be8a154e31f379e2f410cc7fe2a6d98ef084f0776303e3c367d8781759fdb05106ab026e0b3484221658c121d98939a3d9ccd68e39719abe
 DIST lammps-19Dec14.tar.gz 61848823 SHA256 921cc084c7f5c3764548dd282c882aca8320a5e3e3f215fabb92dfd0d67e6d4f SHA512 43cdcdb644a212bee5906686022dae70c996c82c693a0e358b9989415d652894a974c528ed2b750c2ef11fca21d6d6ddc240bcb6c1031503cf1b7bc284a46ac6 WHIRLPOOL cdaa5e785c27fcd5b86d7b3d44e4d2995040cf94864da455aad0101286583cb9924c1b2c69a77bb170b3357c1e74088e359982acef3da50376c9fc5961ddb8e6
+DIST lammps-19Jan15.tar.gz 62756608 SHA256 7f51f735010ce71193d0e4b105fb6bd203f21cc92a830eba1c0392d49d510257 SHA512 9340f6ae01507115f31b8b791ffacd5fc9a174fc4a26178db0023bbb16d233c64498348bacb07597d7088cd17319de17bb440f1e6fde483f8866930f4750c43e WHIRLPOOL 79efcf5902c1c31a82c5e3d0b21f32c5212926f1a69c1ed2d9d37681b719f23d39f4ab972f1263aa0a02a8e2155b1c38be243886cbe39b4e5acc28541682c4af
 DIST lammps-1Feb14.tar.gz 57811478 SHA256 2d01ca4f2c52c18a9a95866f558b3f3857b22662415cb44fa16a5be4dd5bfe44 SHA512 aa84766d19d7f9f753792d6c3a9ba9b37faa671b4ae06ae89be6d3485a064326c79dc351cb784e6a03f5e4e046885a791274a64899ef117dd395e583eac13f3c WHIRLPOOL 4921525762c5842fe7bb96420db26553bf2ea3d91bfda52d2a9fad57f205487fe772c878d83e5b4ae146507e3a90509a4ff0b5628ebfda9a5dde82b8b3a95b3b
 DIST lammps-21Oct14.tar.gz 58596371 SHA256 58ed8d560246a5bf48a681c156113d7746c654cac85e9aa9e10fff6bf38fa99e SHA512 0a10267089292530cc1c9895b0b9e1a2cba403a1b1f7e8ff20dea7a2921739c7d5042bae28bca5f1312b9dc1ab03170b1d5dd9141a3ff7d98507aa0e22d42b3c WHIRLPOOL 711376ca17e4cf6ae6a9a98d386a5970777b9b03dfac60087cd7c10d92a0c6e05996709a253f72936c5e14b465ccec2dedaa1aa6bcb07930be75213700e531f0
 DIST lammps-22Dec14.tar.gz 61849416 SHA256 5af96596829fe5cd0a4b8663a98578de02df7f4b792ac8ead0ffd4055b6504b0 SHA512 2924320d6dd0eb3770dd5475d5df9876238c3f087e20d871d3ab2ff2fb778423b49873d8a37c0281872d3c4224839563b62de8551dbad94613542081dc721bc4 WHIRLPOOL 5959e13346edd49aa4d05f51c9c3eaf0dc476eacb25e64aa46436540e37d298695db11bd9536bbbddbac63bdf9994c463a06510dfe3232585147665d14ddff3e
@@ -46,12 +47,13 @@ EBUILD lammps-20141222.ebuild 4955 SHA256 785ee74c02bc925d3ec6413b1c44b9a4794ebc
 EBUILD lammps-20150105.ebuild 4955 SHA256 bbe69ed6f053edb40b667afb87214ead2b3af45f2232b81eabc8ffa69a2850a2 SHA512 f6f09591353e6bda8b157a2359100a8c35a9c2407ff6e1618d760823047fb44c10d483cd2651959618f4ac865466d2b015379a76bb598a43ad2b716d47903484 WHIRLPOOL 7813c53cee4470ab1380251e3f8934d25377251d8be9beb2c4936ca8c2f222b3281b6a6a6688b83d70adcb929d4edebbfa84273515341f9ac05ee0f82fb05328
 EBUILD lammps-20150106.ebuild 4955 SHA256 81a24c50829270565506bcc75e7ba48887a70c6460766e39581f9b2b52d159f0 SHA512 2de849aefe31545324113e01fcb085188d0f13d17294136615ee814997696e8c72e63db030026cc5abedad2db11c96338fc709a5e1c10df394e0cb64ecca5f9f WHIRLPOOL 248b2773d1613e78342b4ef08224222ef0273752cd0aba90cb336fe76c65a2426709e1a32f4b21c0b5893e63a73a6d101d5f266505a67caf3d49ba07389a1a43
 EBUILD lammps-20150110.ebuild 4955 SHA256 bb11a28949f4be32bda40fbf81f9fd07db6411dfbbf289f82a0a5f90ba141cae SHA512 c1fc3ad467f8c41e8f6ace1d13a9bfb2d6e67c711ab3c803bfa2a013384d73d53ad355463ddf4903b472cdb68c752618b32b29c5c46b3583e8d619ef831f2a54 WHIRLPOOL 4c812dca412c022574cb68502a94f46690af971840aacd37674518367dcc827ba6c6855152b985bb829007d451895b0ee33276288f429c2db0f065efe4c7c457
-MISC ChangeLog 10109 SHA256 248728799488e5cd198560cd58575ec49a116b0a72b78e095b9bfa864b9ae573 SHA512 dd5446065a53fd5a9e9c96296e5a7965b37f764f56abff16bbd9d2efe820531396272c87cd1d7da5080a978437734ee8f6f2f2bc330aae54e0008ca584fd0988 WHIRLPOOL 767a1a6642714e3b6f0cd53213185fa7cbd29f76fa0cf52c69cdda6a04f1c384a56b882b4ed892ae4113429af77ade04f59bd1f93ebca1f6c9862df59fdda64b
+EBUILD lammps-20150119.ebuild 4955 SHA256 2a6a94da7122cdce1d09fe0a11bbecf842b6380984b68b9b8a09c0f47c4ecb99 SHA512 91b83e8afb518b6993c8f8433b71f911278eb64b22e49450e429c647c848b5462a18faea1f7ec74a9a85dc9d7776c3c29ceb58c886fbb4d2578d581a6f2315cd WHIRLPOOL 1dcaee70cc17ef54dc07cc70212202c8ba2b29d2b1e603f574ed58b8cff510453d08d08d6c5f6bac07039e7757d8b4da7636600d5da15464ce60da8f49bd4452
+MISC ChangeLog 10262 SHA256 111ea9dc160d96d0ffdd77006a9f1450fd58c98213c1a918579d1e2ad5449584 SHA512 c8378747e1a3c07f61e74dc6d720bb0a2eb0e1b58a0eba47b4331c3b8cf8c7be77787a7b625935c0df911477bd8514353e57833479dcf37634cf021ccaad9bc7 WHIRLPOOL cbc237f2abc9b9c9e01ddbcf77aca9cc0f71b75c46b21099d00ecbf046e10cdfb53b8ca0977e8312a160dc7e5fd16003fcf576be89b89436d112b8398972026f
 MISC metadata.xml 1271 SHA256 2de96e89797d150bffc7933de76da6d8bd24619c475e71286c5fb05637d97f0a SHA512 ce273d9f6f947f976ad008187dce9e5efe62f20a521ac7c0eb23550ef8cdcc2a1e61084e55466c84c77cd8d98eb39cac857057bd82ab9c9537d9cdb1c66d19d1 WHIRLPOOL 8177b79250dc0ad4759c0790111671457a91f9bac4bf21e0bbef3001abb558dfa70dcac45bcfef388c7377c1595854f9729d5881b64d4f699d6664407fc8696c
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diff --git a/sci-physics/lammps/lammps-20150119.ebuild b/sci-physics/lammps/lammps-20150119.ebuild
new file mode 100644 (file)
index 0000000..96ef8f4
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150119.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-20150119.ebuild,v 1.1 2015/01/20 13:06:52 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
+}