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 06C471381F3 for ; Tue, 28 May 2013 19:53:39 +0000 (UTC) Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id 96C10E0AAD; Tue, 28 May 2013 19:53:37 +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 13643E0AAD for ; Tue, 28 May 2013 19:53:36 +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 CD47F33E070 for ; Tue, 28 May 2013 19:53:35 +0000 (UTC) Received: from localhost.localdomain (localhost [127.0.0.1]) by hornbill.gentoo.org (Postfix) with ESMTP id 60D95E4402 for ; Tue, 28 May 2013 19:53:34 +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: <1369770755.f40a6bfc5ac24bafe6e3e8bada5a1e438da44506.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-20130526.ebuild X-VCS-Directories: sci-physics/lammps/ X-VCS-Committer: nicolasbock X-VCS-Committer-Name: Nicolas Bock X-VCS-Revision: f40a6bfc5ac24bafe6e3e8bada5a1e438da44506 X-VCS-Branch: master Date: Tue, 28 May 2013 19:53:34 +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: fc224208-11f9-4832-b85f-bc433aadc7f5 X-Archives-Hash: 050d44b104d15c9b21a1a1ca21d87a4c commit: f40a6bfc5ac24bafe6e3e8bada5a1e438da44506 Author: Nicolas Bock gmail com> AuthorDate: Tue May 28 19:52:35 2013 +0000 Commit: Nicolas Bock gmail com> CommitDate: Tue May 28 19:52:35 2013 +0000 URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=f40a6bfc Version bump. Package-Manager: portage-2.2.0_alpha177 --- sci-physics/lammps/ChangeLog | 5 +++ sci-physics/lammps/lammps-20130526.ebuild | 75 +++++++++++++++++++++++++++++++ 2 files changed, 80 insertions(+) diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog index b29dfd1..decccfa 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-20130526 (28 May 2013) + + 28 May 2013; Nicolas Bock +lammps-20130526.ebuild: + Version bump. + 28 May 2013; Nicolas Bock lammps-20130514.ebuild: Added html documentation. diff --git a/sci-physics/lammps/lammps-20130526.ebuild b/sci-physics/lammps/lammps-20130526.ebuild new file mode 100644 index 0000000..198fd2f --- /dev/null +++ b/sci-physics/lammps/lammps-20130526.ebuild @@ -0,0 +1,75 @@ +# Copyright 1999-2013 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: $ + +EAPI=5 + +FORTRAN_NEEDED="package-meam" + +inherit eutils fortran-2 + +LAMMPSDATE="26May13" + +DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" +HOMEPAGE="http://lammps.sandia.gov/" +SRC_URI="http://lammps.sandia.gov/tars/lammps-${LAMMPSDATE}.tar.gz" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid" + +DEPEND="mpi? ( virtual/mpi )" +RDEPEND="${DEPEND}" + +S="${WORKDIR}/${PN}-${LAMMPSDATE}" + +lmp_emake() { + local LAMMPS_INCLUDEFLAGS= + use gzip && LAMMPS_INCLUDEFLAGS+=" -DLAMMPS_GZIP" + use lammps-memalign && LAMMPS_INCLUDEFLAGS+=" -DLAMMPS_MEMALIGN" + + # Note: The lammps makefile uses CC to indicate the C++ compiler. + emake \ + ARCHIVE=$(tc-getAR) \ + CC=$(use mpi && echo mpic++ || echo $(tc-getCXX)) \ + F90=$(use mpi && echo mpif90 || echo $(tc-getFC)) \ + LINK=$(use mpi && echo mpic++ || echo $(tc-getCXX)) \ + CCFLAGS="${CXXFLAGS}" \ + F90FLAGS="${FCFLAGS}" \ + LINKFLAGS="${LDFLAGS}" \ + LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ + MPI_INC=$(use mpi || echo -I../STUBS) \ + MPI_PATH=$(use mpi || echo -L../STUBS) \ + MPI_LIB=$(use mpi || echo -lmpi_stubs) \ + "$@" +} + +src_compile() { + # Compile stubs for serial version. + use mpi || lmp_emake -C src stubs + + # Build optional packages. + if use package-meam; then + lmp_emake -C src yes-meam + lmp_emake -j1 -C lib/meam -f Makefile.gfortran + fi + use package-dipole && emake -C src yes-dipole + use package-rigid && emake -C src yes-rigid + + # Compile. + lmp_emake -C src serial +} + +src_install() { + newbin "src/lmp_serial" "lmp" + if use examples; then + insinto "/usr/share/doc/${PF}" + doins -r examples + fi + dodoc README + if use doc; then + dodoc doc/Manual.pdf + dohtml -r doc + fi +}