From: "Nicolas Bock" <nicolasbock@gmail.com>
To: gentoo-commits@lists.gentoo.org
Subject: [gentoo-commits] proj/sci:master commit in: sci-physics/lammps/
Date: Wed, 18 Sep 2013 13:51:37 +0000 (UTC) [thread overview]
Message-ID: <1379512268.c648f486e3607cc604c1c408a24886ccc425ca22.nicolasbock@gentoo> (raw)
commit: c648f486e3607cc604c1c408a24886ccc425ca22
Author: Nicolas Bock <nicolasbock <AT> gmail <DOT> com>
AuthorDate: Wed Sep 18 13:51:08 2013 +0000
Commit: Nicolas Bock <nicolasbock <AT> gmail <DOT> com>
CommitDate: Wed Sep 18 13:51:08 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=c648f486
sci-physics/lammps-20130917: Version bump.
Package-Manager: portage-2.2.1
---
sci-physics/lammps/ChangeLog | 5 ++
sci-physics/lammps/lammps-20130917.ebuild | 115 ++++++++++++++++++++++++++++++
2 files changed, 120 insertions(+)
diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index b53b891..9b64e3a 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 <nicolasbock@gmail.com> +lammps-20130917.ebuild:
+ sci-physics/lammps-20130917: Version bump.
+
*lammps-20130830 (02 Sep 2013)
02 Sep 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20130830.ebuild:
diff --git a/sci-physics/lammps/lammps-20130917.ebuild b/sci-physics/lammps/lammps-20130917.ebuild
new file mode 100644
index 0000000..fa960e3
--- /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
+}
next reply other threads:[~2013-09-18 13:51 UTC|newest]
Thread overview: 34+ messages / expand[flat|nested] mbox.gz Atom feed top
2013-09-18 13:51 Nicolas Bock [this message]
-- strict thread matches above, loose matches on Subject: below --
2014-02-06 19:56 [gentoo-commits] proj/sci:master commit in: sci-physics/lammps/ Nicolas Bock
2014-02-05 4:38 Nicolas Bock
2014-02-05 4:36 Nicolas Bock
2014-02-01 23:05 Nicolas Bock
2013-12-29 0:31 Justin Lecher
2013-12-22 0:13 Christoph Junghans
2013-12-13 19:12 Nicolas Bock
2013-12-04 19:04 Nicolas Bock
2013-11-22 19:33 Nicolas Bock
2013-11-11 21:48 Nicolas Bock
2013-10-16 4:49 Nicolas Bock
2013-09-27 15:17 Nicolas Bock
2013-09-02 18:17 Nicolas Bock
2013-08-13 22:20 Nicolas Bock
2013-07-16 21:04 Nicolas Bock
2013-07-09 20:55 Nicolas Bock
2013-07-09 20:55 Nicolas Bock
2013-07-03 16:41 Nicolas Bock
2013-06-27 0:01 Christoph Junghans
2013-06-26 18:33 Nicolas Bock
2013-06-26 16:31 Nicolas Bock
2013-06-26 5:04 Christoph Junghans
2013-05-28 20:06 Nicolas Bock
2013-05-28 19:53 Nicolas Bock
2013-05-28 19:46 Nicolas Bock
2013-05-16 21:22 Nicolas Bock
2013-05-16 21:22 Nicolas Bock
2013-05-10 22:05 Nicolas Bock
2013-05-10 21:54 Nicolas Bock
2013-05-10 18:31 Nicolas Bock
2013-05-10 17:46 Nicolas Bock
2013-05-10 17:34 Nicolas Bock
2013-05-10 16:06 Nicolas Bock
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