From mboxrd@z Thu Jan 1 00:00:00 1970 Return-Path: Received: from lists.gentoo.org (pigeon.gentoo.org [208.92.234.80]) by finch.gentoo.org (Postfix) with ESMTP id 9F7441381F3 for ; Tue, 16 Jul 2013 21:04:53 +0000 (UTC) Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id 1989FE0944; Tue, 16 Jul 2013 21:04:49 +0000 (UTC) Received: from smtp.gentoo.org (smtp.gentoo.org [140.211.166.183]) (using TLSv1 with cipher AECDH-AES256-SHA (256/256 bits)) (No client certificate requested) by pigeon.gentoo.org (Postfix) with ESMTPS id 8CC1BE08F9 for ; Tue, 16 Jul 2013 21:04:48 +0000 (UTC) Received: from hornbill.gentoo.org (hornbill.gentoo.org [94.100.119.163]) (using TLSv1 with cipher AECDH-AES256-SHA (256/256 bits)) (No client certificate requested) by smtp.gentoo.org (Postfix) with ESMTPS id 5C17033E3CC for ; Tue, 16 Jul 2013 21:04:47 +0000 (UTC) Received: from localhost.localdomain (localhost [127.0.0.1]) by hornbill.gentoo.org (Postfix) with ESMTP id F008DE468F for ; Tue, 16 Jul 2013 21:04:45 +0000 (UTC) From: "Nicolas Bock" To: gentoo-commits@lists.gentoo.org Content-Transfer-Encoding: 8bit Content-type: text/plain; charset=UTF-8 Reply-To: gentoo-dev@lists.gentoo.org, "Nicolas Bock" Message-ID: <1374008506.3bdd3582331709363c9323b99ce68b12d51c9ef3.nicolasbock@gentoo> Subject: [gentoo-commits] proj/sci:master commit in: sci-physics/lammps/ X-VCS-Repository: proj/sci X-VCS-Files: sci-physics/lammps/ChangeLog sci-physics/lammps/lammps-20130711.ebuild X-VCS-Directories: sci-physics/lammps/ X-VCS-Committer: nicolasbock X-VCS-Committer-Name: Nicolas Bock X-VCS-Revision: 3bdd3582331709363c9323b99ce68b12d51c9ef3 X-VCS-Branch: master Date: Tue, 16 Jul 2013 21:04:45 +0000 (UTC) Precedence: bulk List-Post: List-Help: List-Unsubscribe: List-Subscribe: List-Id: Gentoo Linux mail X-BeenThere: gentoo-commits@lists.gentoo.org X-Archives-Salt: 5cf64ed3-1309-40eb-8cee-102ef24e3861 X-Archives-Hash: 2b881f673b15ddc300803084e90a97ec commit: 3bdd3582331709363c9323b99ce68b12d51c9ef3 Author: Nicolas Bock gmail com> AuthorDate: Tue Jul 16 21:01:46 2013 +0000 Commit: Nicolas Bock gmail com> CommitDate: Tue Jul 16 21:01:46 2013 +0000 URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=3bdd3582 Version bump to sci-physics/lammps-20130711 Package-Manager: portage-2.2.0_alpha188 --- sci-physics/lammps/ChangeLog | 5 ++ sci-physics/lammps/lammps-20130711.ebuild | 115 ++++++++++++++++++++++++++++++ 2 files changed, 120 insertions(+) diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog index 3671fad..c183be1 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-20130711 (16 Jul 2013) + + 16 Jul 2013; Nicolas Bock +lammps-20130711.ebuild: + Version bump to sci-physics/lammps-20130711 + 09 Jul 2013; Nicolas Bock lammps-20130708.ebuild: sci-physics/lammps: Fixed repoman warning. diff --git a/sci-physics/lammps/lammps-20130711.ebuild b/sci-physics/lammps/lammps-20130711.ebuild new file mode 100644 index 0000000..fa960e3 --- /dev/null +++ b/sci-physics/lammps/lammps-20130711.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 +}