[gentoo-commits] proj/sci:master commit in: sci-physics/lammps/

[Nicolas Bock]

commit:     f40a6bfc5ac24bafe6e3e8bada5a1e438da44506
Author:     Nicolas Bock <nicolasbock <AT> gmail <DOT> com>
AuthorDate: Tue May 28 19:52:35 2013 +0000
Commit:     Nicolas Bock <nicolasbock <AT> gmail <DOT> 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 <nicolasbock@×××××.com> +lammps-20130526.ebuild:
+  Version bump.
+
   28 May 2013; Nicolas Bock <nicolasbock@×××××.com> 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
+}