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author | Nicolas Bock <nicolasbock@gmail.com> | 2013-07-09 14:53:56 -0600 |
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committer | Nicolas Bock <nicolasbock@gmail.com> | 2013-07-09 14:53:56 -0600 |
commit | ab7389777b4e30ec86e051225ee8dcb0ab7f550c (patch) | |
tree | 2f3338d974f6f6ea4bbcbbe7e8d7e95f66425428 /sci-physics | |
parent | Upstream package move from sys-cluster/mpich2 to sys-cluster/mpich (diff) | |
download | sci-ab7389777b4e30ec86e051225ee8dcb0ab7f550c.tar.gz sci-ab7389777b4e30ec86e051225ee8dcb0ab7f550c.tar.bz2 sci-ab7389777b4e30ec86e051225ee8dcb0ab7f550c.zip |
Added current version: sci-physics/lammps-20130708.
* Fixed bug in lammps to gentoo version string conversion. In bash arithmetic
operations, a string literal with a leading "0" is interpreted in base 8.
* Added potentials, which were not installed in previous versions.
* Moved examples from /usr/share/doc/${PF} to /usr/share/lammps-${PF}.
Package-Manager: portage-2.2.0_alpha187
Diffstat (limited to 'sci-physics')
-rw-r--r-- | sci-physics/lammps/ChangeLog | 9 | ||||
-rw-r--r-- | sci-physics/lammps/Manifest | 1 | ||||
-rw-r--r-- | sci-physics/lammps/lammps-20130708.ebuild | 115 |
3 files changed, 125 insertions, 0 deletions
diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog index 2f4ea9eb9..66e3d00de 100644 --- a/sci-physics/lammps/ChangeLog +++ b/sci-physics/lammps/ChangeLog @@ -2,6 +2,15 @@ # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*lammps-20130708 (09 Jul 2013) + + 09 Jul 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20130708.ebuild: + Added current version: sci-physics/lammps-20130708. * Fixed bug in lammps to + gentoo version string conversion. In bash arithmetic operations, a string + literal with a leading "0" is interpreted in base 8. * Added potentials, which + were not installed in previous versions. * Moved examples from + /usr/share/doc/${PF} to /usr/share/lammps-${PF}. + *lammps-20130701 (03 Jul 2013) 03 Jul 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20130701.ebuild, diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest index 2e2bd893c..f2c5b6056 100644 --- a/sci-physics/lammps/Manifest +++ b/sci-physics/lammps/Manifest @@ -1 +1,2 @@ DIST lammps-1Jul13.tar.gz 47784757 SHA256 9a41b6bdc6b5288e711d0ff877f18a028a6ae9981c3cf7b7ab77df344d5ac5e2 SHA512 de9dd48926a53127f53862df7f604599e0ec6cbe6e7661b83126239d5c63775e76c12e6f0677d286204696fb1734cc57370483f052b1060a5db9d8dc3765ae84 WHIRLPOOL 05eb83d8fe4fb7affe8331b987c6d87d3437fe265e1f50554970265ed4df1dd22d931e9bb8461df6e0ea3d19bb3458623dc40b0ee1a13b297ad3e3a611055dda +DIST lammps-8Jul13.tar.gz 47801224 SHA256 1ae1c27e4ac47a732f3141f3106f395e3fcaa07e05039f15adc01bfbba1aa5e5 SHA512 32c693e7e4dc00f674f910fc2890e85dfd71171da99a993aa8b7ce71aa0f5cd0974e28654a00585190b5a0c47d3fd24eb63d3d2d143f48a88e76e0fca740e99c WHIRLPOOL 12b67892ca7f98255c4aac7183fedddcefb62aa5835787185443b07eab7641e7177c2c2095309336b0fbcae552b6993d3208c0246b13ce0f71084a21b4ab271b diff --git a/sci-physics/lammps/lammps-20130708.ebuild b/sci-physics/lammps/lammps-20130708.ebuild new file mode 100644 index 000000000..6a4a817aa --- /dev/null +++ b/sci-physics/lammps/lammps-20130708.ebuild @@ -0,0 +1,115 @@ +# Copyright 1999-2013 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20130526.ebuild,v 1.1 2013/06/26 23:53:11 ottxor Exp $ + +EAPI=5 + +FORTRAN_NEEDED="package-meam" + +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/${MY_P}.tar.gz" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64" +IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid" + +DEPEND="mpi? ( virtual/mpi )" +RDEPEND="${DEPEND}" + +S="${WORKDIR}/${MY_P}" + +lmp_emake() { + local LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" + LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" + + # Note: 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') \ + "$@" +} + +src_compile() { + # Compile stubs for serial version. + use mpi || lmp_emake -C src stubs + + # Build optional packages. + if use package-meam; then + lmp_emake -C src yes-meam + lmp_emake -j1 -C lib/meam -f Makefile.gfortran + fi + use package-dipole && emake -C src yes-dipole + use package-rigid && emake -C src yes-rigid + + # Compile. + lmp_emake -C src serial +} + +src_install() { + newbin "src/lmp_serial" "lmp" + + local LAMMPS_POTENTIALS="/usr/share/${PF}/potentials" + insinto "${LAMMPS_POTENTIALS}" + doins potentials/* + echo "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS}" > 99lammps + doenvd 99lammps + + if use examples; then + local LAMMPS_EXAMPLES="/usr/share/${PF}/examples" + elog "The examples can be found in ${LAMMPS_EXAMPLES}" + insinto "${LAMMPS_EXAMPLES}" + doins -r examples/* + fi + + dodoc README + if use doc; then + dodoc doc/Manual.pdf + dohtml -r doc/* + fi +} |