diff options
Diffstat (limited to 'sci-physics')
| -rw-r--r-- | sci-physics/lammps/ChangeLog | 8 | ||||
| -rw-r--r-- | sci-physics/lammps/Manifest | 11 | ||||
| -rw-r--r-- | sci-physics/lammps/lammps-20140214-r1.ebuild | 152 | ||||
| -rw-r--r-- | sci-physics/lammps/lammps-20140214.ebuild | 18 |
4 files changed, 171 insertions, 18 deletions
diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog index 7199d2f0acda..3344ec73ae94 100644 --- a/sci-physics/lammps/ChangeLog +++ b/sci-physics/lammps/ChangeLog @@ -1,6 +1,12 @@ # ChangeLog for sci-physics/lammps # Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.17 2014/02/19 19:05:49 nicolasbock Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.18 2014/02/19 20:12:04 nicolasbock Exp $ + +*lammps-20140214-r1 (19 Feb 2014) + + 19 Feb 2014; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20140214-r1.ebuild, + lammps-20140214.ebuild: + sci-physics/lammps-20140214: Revision bump... 19 Feb 2014; Nicolas Bock <nicolasbock@gentoo.org> lammps-20140214.ebuild: sci-physics/lammps-20140214: Change location of examples. diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest index 74d89691a5c6..705fdb0a8711 100644 --- a/sci-physics/lammps/Manifest +++ b/sci-physics/lammps/Manifest @@ -16,13 +16,14 @@ EBUILD lammps-20140122.ebuild 2474 SHA256 a53722430133c48e79af46ea29e8f7ee2e15b9 EBUILD lammps-20140129.ebuild 2474 SHA256 20b858dbf8bd276ce996b4a3abef1a67fc65cdac14944330f0a19b75f392854b SHA512 9db041db7994bdafd1470224c0c8f7ab8aec7849300ad3dd3579fe30300388b99cb732a8ab1f34e4c2c2e9a5c39c59cd345af87d81694cbc159abef9d44b64a3 WHIRLPOOL 1b13d493ddd0f0307c936f76d9422a7f601fd95e78c65db4d4524e5a01b546d1926a7b92f8df04c846b58f83631e086d304337552a9d4fa87988397d414ae170 EBUILD lammps-20140201.ebuild 2474 SHA256 bf06324d1cfb529efb73ba6ac1cf44482b06e754ec8abd41b77dc5f034c34933 SHA512 2aed9cb6853a488c3a91c4f0935d913665e9fb9397ea7e393dd475830b4eea2d0d8b9d900f9f8c2d1516222a54c5d7f5b4460c05ef0524fcae053de7876af481 WHIRLPOOL 1104d3b7ded4e082519590065bc9698b61642fdbb6a75b5c4f0617465b3e5b89312c3c40cccbd86fe2d7fc4265314fa26d72c7c9362bc89b5dd9544217c09c6d EBUILD lammps-20140212.ebuild 3576 SHA256 c456eafcf1392e2c8cffe982cbb9f4d64e574bda3e1a9e91a8fbaf47124813a7 SHA512 c6ad5e506320af87cd8f270d494271936e3e7582ec5b7c6162cb8da15e2409747357959c9187fa047b806c8600b117cfafb1a25eca4fde845075b53bb81fc5c3 WHIRLPOOL bd8fb9a8ab1b624ae2645441a84af622371609fc5210678f06f711db510b1f5ad87959f5fa3235789399294fa3301882a7a5da273c8b13e64f72fa24c61d9ed9 -EBUILD lammps-20140214.ebuild 3593 SHA256 1e16ce9f03edf3c7d1ee50d3be68457290db1a52d1c07d5e07e57f73b006208b SHA512 2b27b4a28366cc3d8af772ebf71e6537f8543a9da2f9db8399d7ef88e57406f5422b379ddf3b690bebc45e9af94a87508670726c0328482bfc0b5c1795ecdb73 WHIRLPOOL 50f5e000be3f6a1f62f26556eb598e69b1603dd0818f2e81f92feec6761547ea800d341a14110ce961734384dc019ac714e88066c736a7d6de6042bb59564546 -MISC ChangeLog 3462 SHA256 e799562737f11fb2d145d4b06886e075db51eb7d01a7863250f491d6f92cece4 SHA512 eeb5df4b30dd1394159b607d6aafc83e0be6fbff1c3185db6cced6422d141118673b7bbcceaefd762a1011591308a298dee425cbf47ace0bf4b9b23f526cfcad WHIRLPOOL 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a/sci-physics/lammps/lammps-20140214-r1.ebuild b/sci-physics/lammps/lammps-20140214-r1.ebuild new file mode 100644 index 000000000000..1549844affbd --- /dev/null +++ b/sci-physics/lammps/lammps-20140214-r1.ebuild @@ -0,0 +1,152 @@ +# Copyright 1999-2014 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20140214-r1.ebuild,v 1.1 2014/02/19 20:12:04 nicolasbock Exp $ + +EAPI=5 + +inherit eutils fortran-2 + +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/${MY_P}.tar.gz" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64" +IUSE="doc examples gzip lammps-memalign mpi static-libs" + +DEPEND="mpi? ( virtual/mpi )" +RDEPEND="${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') \ + "$@" +} + +src_prepare() { + # Fix inconsistent use of SHFLAGS. + sed -i -e 's:$(CCFLAGS):$(CCFLAGS) -fPIC:' src/STUBS/Makefile || die + sed -i -e 's:$(F90FLAGS):$(F90FLAGS) -fPIC:' lib/meam/Makefile.gfortran || die + sed -i -e 's:$(F90FLAGS):$(F90FLAGS) -fPIC:' lib/reax/Makefile.gfortran || die + + # Fix makefile in tools. + sed -i \ + -e 's:g++:$(CXX) $(CXXFLAGS):' \ + -e 's:gcc:$(CC) $(CCFLAGS):' \ + -e 's:ifort:$(FC) $(FCFLAGS):' \ + tools/Makefile +} + +src_compile() { + # Compile stubs for serial version. + use mpi || lmp_emake -C src stubs + + # Build packages + emake -C src yes-dipole + emake -C src yes-kspace + emake -C src yes-mc + lmp_emake -C src yes-meam + lmp_emake -j1 -C lib/meam -f Makefile.gfortran + emake -C src yes-reax + emake -C src yes-replica + lmp_emake -j1 -C lib/reax -f Makefile.gfortran + emake -C src yes-rigid + emake -C src yes-shock + emake -C src yes-xtc + + if use static-libs; then + # Build static library. + lmp_emake -C src makelib + lmp_emake -C src -f Makefile.lib serial + fi + + # Build shared library. + lmp_emake -C src makeshlib + lmp_emake -C src -f Makefile.shlib serial + + # Compile main executable. + lmp_emake -C src serial + + # Compile tools. + emake -C tools binary2txt +} + +src_install() { + use static-libs && newlib.a "src/liblammps_serial.a" "liblammps.a" + newlib.so "src/liblammps_serial.so" "liblammps.so" + newbin "src/lmp_serial" "lmp" + dobin tools/binary2txt + # Don't forget to add header files of optional packages as they are added + # to this ebuild. There may also be .mod files from Fortran based + # packages. + doheader -r src/*.h lib/meam/*.mod + + local LAMMPS_POTENTIALS="/usr/share/${PN}/potentials" + insinto "${LAMMPS_POTENTIALS}" + doins potentials/* + echo "LAMMPS_POTENTIALS=${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 +} diff --git a/sci-physics/lammps/lammps-20140214.ebuild b/sci-physics/lammps/lammps-20140214.ebuild index 8c56916c8ad7..d00dd7093b16 100644 --- a/sci-physics/lammps/lammps-20140214.ebuild +++ b/sci-physics/lammps/lammps-20140214.ebuild @@ -1,6 +1,6 @@ # Copyright 1999-2014 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20140214.ebuild,v 1.4 2014/02/19 19:05:49 nicolasbock Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20140214.ebuild,v 1.5 2014/02/19 20:12:04 nicolasbock Exp $ EAPI=5 @@ -105,11 +105,9 @@ src_compile() { emake -C src yes-shock emake -C src yes-xtc - if use static-libs; then - # Build static library. - lmp_emake -C src makelib - lmp_emake -C src -f Makefile.lib serial - fi + # Build static library. + lmp_emake -C src makelib + lmp_emake -C src -f Makefile.lib serial # Build shared library. lmp_emake -C src makeshlib @@ -127,19 +125,15 @@ src_install() { newlib.so "src/liblammps_serial.so" "liblammps.so" 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. - doheader -r src/*.h lib/meam/*.mod - local LAMMPS_POTENTIALS="/usr/share/${PN}/potentials" + local LAMMPS_POTENTIALS="/usr/share/${PF}/potentials" insinto "${LAMMPS_POTENTIALS}" doins potentials/* echo "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS}" > 99lammps doenvd 99lammps if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" + local LAMMPS_EXAMPLES="/usr/share/${PF}/examples" insinto "${LAMMPS_EXAMPLES}" doins -r examples/* fi |