From c648f486e3607cc604c1c408a24886ccc425ca22 Mon Sep 17 00:00:00 2001 From: Nicolas Bock Date: Wed, 18 Sep 2013 07:51:08 -0600 Subject: sci-physics/lammps-20130917: Version bump. Package-Manager: portage-2.2.1 --- sci-physics/lammps/ChangeLog | 5 ++ sci-physics/lammps/Manifest | 1 + sci-physics/lammps/lammps-20130917.ebuild | 115 ++++++++++++++++++++++++++++++ 3 files changed, 121 insertions(+) create mode 100644 sci-physics/lammps/lammps-20130917.ebuild (limited to 'sci-physics/lammps') diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog index b53b891d5..9b64e3ab5 100644 --- a/sci-physics/lammps/ChangeLog +++ b/sci-physics/lammps/ChangeLog @@ -2,6 +2,11 @@ # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*lammps-20130917 (18 Sep 2013) + + 18 Sep 2013; Nicolas Bock +lammps-20130917.ebuild: + sci-physics/lammps-20130917: Version bump. + *lammps-20130830 (02 Sep 2013) 02 Sep 2013; Nicolas Bock +lammps-20130830.ebuild: diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest index 3cd74ecb9..125e48e07 100644 --- a/sci-physics/lammps/Manifest +++ b/sci-physics/lammps/Manifest @@ -1,5 +1,6 @@ DIST lammps-11Jul13.tar.gz 47802661 SHA256 98516d69ec12463ee3884c2e71b7704dcc2f4cf6dc2be43531452f94d9b29f4d SHA512 b5df81063516f93ec3bb347f3e1601a5e4862b8c227adf7778d76a890ef8f8f989b6a75f8363bdd5f30fbed090d0589c70b3a45b791d0312065bf3405c33d0d7 WHIRLPOOL 73ea6b0d248a7c92531a5ce6d7ac516dc277a8ae2bf7ed7bdb253f8dd1c47fc983a0f112ceabde424778ee21cd8f1e5eb2722a1bab9293213415c4b4950d6a4a DIST lammps-16Aug13.tar.gz 48337879 SHA256 740d35046961df7ea2dd39e2b7a28e5ff1414f283ac9f568986bd1f2b8b036d9 SHA512 1e56751b94e2af8487c77066846cad7e3a98b7f990a90db9b57e32dc8e3c0a4b9be3431a92f393962fb703ce4957c1d2580545e27549e47a3207e88ec158aa8d WHIRLPOOL d3d442d1d7e9e0267de2a637fd44c87df6dc8eaad61de28cc1aa75d93b49b7877c1de21df251fc8d812e36391f2c5d5e7a75b4b349e6749e9efb9b5266edeb77 +DIST lammps-17Sep13.tar.gz 49985563 SHA256 607f6bfadd644bfa8403af1f38d28b4b36bc8d2fe50f09514c7fa13c2d180cbb SHA512 fb303d26846ea3cf42cd6fae2a641989b1debd5c3c4482f006293cb9ace91040faf7bfdc9fbb7c99934414fbeb8b85899c7ff8ce7239a0c3d698a0e1187ae3c6 WHIRLPOOL bd1e308845880831d404447b88784a769c18c472cd22463b949e22a6444de0ffe7826ed2ffc238d909429e2b58c024d368f2c7ee870bda41172958cff840b394 DIST lammps-1Jul13.tar.gz 47784757 SHA256 9a41b6bdc6b5288e711d0ff877f18a028a6ae9981c3cf7b7ab77df344d5ac5e2 SHA512 de9dd48926a53127f53862df7f604599e0ec6cbe6e7661b83126239d5c63775e76c12e6f0677d286204696fb1734cc57370483f052b1060a5db9d8dc3765ae84 WHIRLPOOL 05eb83d8fe4fb7affe8331b987c6d87d3437fe265e1f50554970265ed4df1dd22d931e9bb8461df6e0ea3d19bb3458623dc40b0ee1a13b297ad3e3a611055dda DIST lammps-30Aug13.tar.gz 48632345 SHA256 8d20ab00412feda5c9869de0188c52fb77f1faa51b317f09706eff35e651d961 SHA512 9722a3a4a7adc3387014650bd5a3ed18f3081065791507d0c39227a394f375f10a8ffbb5510fac24fcc6e84a40b98c0ad21d576969824284e65be94c445e5a24 WHIRLPOOL 50c6f4aed0ef21aa9078eb16ea15f6d6a89bc24316a40183ac993fbf3fecca2c55a5bcf1715cfbecff24ea07e96c55ba082679b11926c50f6ac2da2ec17547e4 DIST lammps-8Jul13.tar.gz 47801224 SHA256 1ae1c27e4ac47a732f3141f3106f395e3fcaa07e05039f15adc01bfbba1aa5e5 SHA512 32c693e7e4dc00f674f910fc2890e85dfd71171da99a993aa8b7ce71aa0f5cd0974e28654a00585190b5a0c47d3fd24eb63d3d2d143f48a88e76e0fca740e99c WHIRLPOOL 12b67892ca7f98255c4aac7183fedddcefb62aa5835787185443b07eab7641e7177c2c2095309336b0fbcae552b6993d3208c0246b13ce0f71084a21b4ab271b diff --git a/sci-physics/lammps/lammps-20130917.ebuild b/sci-physics/lammps/lammps-20130917.ebuild new file mode 100644 index 000000000..fa960e384 --- /dev/null +++ b/sci-physics/lammps/lammps-20130917.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 +} -- cgit v1.2.3-65-gdbad