commit: 9ec5a07446cdd2ab66a71b34e3d6815fd357bb47
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Wed Oct 28 19:30:02 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Wed Oct 28 19:30:02 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=9ec5a074
sci-physics/lammps: Remove old versions
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 3 -
sci-physics/lammps/lammps-20150818.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20150821.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20150829.ebuild | 267 ------------------------------
4 files changed, 804 deletions(-)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 65e5628..6db6fd5 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -2,13 +2,10 @@ DIST lammps-10Aug15.tar.gz 87890369 SHA256
450a765f94b70a6f38637854f1d7496dca98d
DIST lammps-10Feb15.tar.gz 62912048 SHA256
59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512
a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2
WHIRLPOOL
09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
DIST lammps-11Sep15.tar.gz 87274144 SHA256
79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512
a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2
WHIRLPOOL
21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3
DIST lammps-15May15.tar.gz 63835027 SHA256
0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512
a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1
WHIRLPOOL
4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
-DIST lammps-18Aug15.tar.gz 87893731 SHA256
513237934cda7c1e026f4983096fd53cb510fadee12c55b13b4735086155245a SHA512
5816509f5b988dbe74c9f40a9faa42b3bcf260388dfe70703a1544517acd3f868d3bc398fb4c2fa7713d24409075d44ad80b8e91a25a28db783c2605aff30977
WHIRLPOOL
7022f3aabadffdfa2ef4c8219589e46fba2572d9ed4b52591f6516a61d4895b39d637d88535ba83881db5d48661e34ca6ff2f22a6819dbec015af979721a0f53
-DIST lammps-21Aug15.tar.gz 87096749 SHA256
46f68e7b61e50ab3e790c53cadd82fde7c7aa58aa73e8a3257f24facff2ed0a4 SHA512
b1dd90890c43a6cf55a57a61279dcc4c10fdedb4ad90f225a06c0e93eb139d30f2d56baa233c081b38adeeb0a8419a0315ccc4b0fa15c3ffbf7db626ca261e9d
WHIRLPOOL
a1d7d4ab30f9ecca3fd64216e729fef6fa1b3f7a6698b9eaf104bcbfa03a66862cd8c5882e94f73e841064d94bf030aaf569ebb457d89fbd345b391f9cee6822
DIST lammps-22Oct15.tar.gz 87938562 SHA256
8376b52e8eef4d1c3628c15ff358ecf74303e308566f41fd055701f6af3b6484 SHA512
cbe61420cccd11cd444423214802dfd2d1b2b1b28511a53dbf22e993fa3592404e8dda29fcb7bcd4e6e2d1e2251ddc6f020d48bafa66c8fceaa27d4af2e21640
WHIRLPOOL
11d09b18ff742d6ac4fcb400df93d7ac29144ee554f7241e58da80d039a99ef23b4b81709170ed12215693de97b6b48c9a6967d7d0539fd7f2f172a1e0a83661
DIST lammps-23Oct15.tar.gz 87933918 SHA256
3500cdeb22344c7f3a040834a232d6c5ddb9f601820794441fcc24dadedc49b6 SHA512
a26d214b3e7c47d63cf00a364753a829d1c8f0cf4f8b73e829a4463650303d6905b6c942df5890387413b44496c8615b286296b34df9181e54806bb2f361b39a
WHIRLPOOL
9a2d6e8fb57f1af2969345d9b250ed1244d2e40c97d5e2994c0ef6225ca265b490809848faa7cdc29a3eaa7c51a6223320039863f6c382a1a51da6f474e52088
DIST lammps-24Sep15.tar.gz 87307191 SHA256
e03cdeb2b3b6107d98969febea26575c85590603ab4f79d26efc46bac6d6cc60 SHA512
356dd556f845cec456865062375120c0898cef1870617d80b31b0e8e964585140120b21f891cd9b40ecde7aaf43beb34d7b15396830e08273624a9b14da551e4
WHIRLPOOL
667b8aaf927d268c569a192c835b7dbdc80a0f25abb1f2c96007517ea218a69b2816dde4ebe28ca82974d01472c0e1126b67e89a19fb3ef49e4020f3d9c69fba
DIST lammps-26Oct15.tar.gz 89265403 SHA256
c69356b3056881cbbb7eb659eb9cd4fc9d86e7f010502fe47c91ed865cbabea7 SHA512
738cd9fb7b11cb1e7304814ac4463d534f0a5dda1c70cc483d3c19b038c15cd61a2c03c6972cccc69afbe42d88bf01ef33d0972bba9516a840026891fc3f144a
WHIRLPOOL
c7c7882e32b026cdba0d5bceb1ecfa4127e77edeb9d567760e19d6103109fdf9cefe79a17fd6e3291d04347984cfdb1a999136ead0be20f0173a73e53f106d95
-DIST lammps-29Aug15.tar.gz 87253305 SHA256
fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512
991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c
WHIRLPOOL
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DIST lammps-4Sep15.tar.gz 87259558 SHA256
8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512
ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9
WHIRLPOOL
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DIST lammps-5Oct15.tar.gz 88451532 SHA256
a76f92ae05b99f9257abf7d79d9365c5743fa5a16b941a5e40f74036c5879211 SHA512
e0a034778cd5e3b9a27c9fc6257f1f7a6a9161732cd83bac2c4b0f82c39d5a6a385bb4640322478bfbe9467afb28b998cd19108b3d4a21e369b80c39a486e065
WHIRLPOOL
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DIST lammps-9Sep15.tar.gz 87275742 SHA256
c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512
60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf
WHIRLPOOL
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diff --git a/sci-physics/lammps/lammps-20150818.ebuild
b/sci-physics/lammps/lammps-20150818.ebuild
deleted file mode 100644
index 1a244c8..0000000
--- a/sci-physics/lammps/lammps-20150818.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-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
- )
- gzip? ( app-arch/gzip )
- 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+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64'
'')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(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)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$: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) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not
actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(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
-}
diff --git a/sci-physics/lammps/lammps-20150821.ebuild
b/sci-physics/lammps/lammps-20150821.ebuild
deleted file mode 100644
index 1a244c8..0000000
--- a/sci-physics/lammps/lammps-20150821.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-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
- )
- gzip? ( app-arch/gzip )
- 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+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64'
'')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(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)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$: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) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not
actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(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
-}
diff --git a/sci-physics/lammps/lammps-20150829.ebuild
b/sci-physics/lammps/lammps-20150829.ebuild
deleted file mode 100644
index 1a244c8..0000000
--- a/sci-physics/lammps/lammps-20150829.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-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
- )
- gzip? ( app-arch/gzip )
- 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+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64'
'')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(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)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$: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) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not
actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(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
-}
