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authorNicolas Bock <nicolasbock@gentoo.org>2014-02-06 19:54:16 +0000
committerNicolas Bock <nicolasbock@gentoo.org>2014-02-06 19:54:16 +0000
commit9209cb5c857b2803dd953a80fc7fa26ae4526c69 (patch)
treee148294cf755459243d17e5ed7a58d83c9212c17 /sci-physics
parentRenamed conflicting binaries to *-pyfits, removed old, thanks Joseph Booker, ... (diff)
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sci-physics/lammps: Moved lammps-20140201 from sci overlay to portage.
This version is considered "stable" by upstream, as opposed to the normal frequent snapshot releases. I had originally placed the stable version in a new slot, but after discussing this with ottxor, decided to move 20140201 back into slot 0 and open a stabilization request for it. (Portage version: 2.2.7/cvs/Linux x86_64, signed Manifest commit with key AC91CA52)
Diffstat (limited to 'sci-physics')
-rw-r--r--sci-physics/lammps/ChangeLog13
-rw-r--r--sci-physics/lammps/lammps-20131201.ebuild5
-rw-r--r--sci-physics/lammps/lammps-20131216.ebuild5
-rw-r--r--sci-physics/lammps/lammps-20131217.ebuild5
-rw-r--r--sci-physics/lammps/lammps-20140122.ebuild5
-rw-r--r--sci-physics/lammps/lammps-20140129.ebuild5
-rw-r--r--sci-physics/lammps/lammps-20140201.ebuild114
7 files changed, 136 insertions, 16 deletions
diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index 5b53371bad84..c5ba458b6d5b 100644
--- a/sci-physics/lammps/ChangeLog
+++ b/sci-physics/lammps/ChangeLog
@@ -1,6 +1,17 @@
# ChangeLog for sci-physics/lammps
# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.9 2014/02/05 04:35:15 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.10 2014/02/06 19:54:16 nicolasbock Exp $
+
+*lammps-20140201 (06 Feb 2014)
+
+ 06 Feb 2014; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20140201.ebuild,
+ lammps-20131201.ebuild, lammps-20131216.ebuild, lammps-20131217.ebuild,
+ lammps-20140122.ebuild, lammps-20140129.ebuild:
+ sci-physics/lammps: Moved lammps-20140201 from sci overlay to portage. This
+ version is considered "stable" by upstream, as opposed to the normal frequent
+ snapshot releases. I had originally placed the stable version in a new slot,
+ but after discussing this with ottxor, decided to move 20140201 back into slot
+ 0 and open a stabilization request for it.
05 Feb 2014; Nicolas Bock <nicolasbock@gentoo.org> lammps-20140129.ebuild:
sci-physics/lammps: Trying to add blocker, ottxor beat me to it :)
diff --git a/sci-physics/lammps/lammps-20131201.ebuild b/sci-physics/lammps/lammps-20131201.ebuild
index 351159c89149..15f152272c32 100644
--- a/sci-physics/lammps/lammps-20131201.ebuild
+++ b/sci-physics/lammps/lammps-20131201.ebuild
@@ -1,6 +1,6 @@
# Copyright 1999-2014 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20131201.ebuild,v 1.4 2014/02/05 03:04:14 ottxor Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20131201.ebuild,v 1.5 2014/02/06 19:54:16 nicolasbock Exp $
EAPI=5
@@ -51,8 +51,7 @@ KEYWORDS="~amd64"
IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid"
DEPEND="mpi? ( virtual/mpi )"
-RDEPEND="${DEPEND}
- !${CATEGORY}/${PN}:stable"
+RDEPEND="${DEPEND}"
S="${WORKDIR}/${MY_P}"
diff --git a/sci-physics/lammps/lammps-20131216.ebuild b/sci-physics/lammps/lammps-20131216.ebuild
index c7212dd0fe99..a24ca78f2717 100644
--- a/sci-physics/lammps/lammps-20131216.ebuild
+++ b/sci-physics/lammps/lammps-20131216.ebuild
@@ -1,6 +1,6 @@
# Copyright 1999-2014 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20131216.ebuild,v 1.4 2014/02/05 03:04:15 ottxor Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20131216.ebuild,v 1.5 2014/02/06 19:54:16 nicolasbock Exp $
EAPI=5
@@ -51,8 +51,7 @@ KEYWORDS="~amd64"
IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid"
DEPEND="mpi? ( virtual/mpi )"
-RDEPEND="${DEPEND}
- !${CATEGORY}/${PN}:stable"
+RDEPEND="${DEPEND}"
S="${WORKDIR}/${MY_P}"
diff --git a/sci-physics/lammps/lammps-20131217.ebuild b/sci-physics/lammps/lammps-20131217.ebuild
index ec6042fbfe09..1f3f09f4094b 100644
--- a/sci-physics/lammps/lammps-20131217.ebuild
+++ b/sci-physics/lammps/lammps-20131217.ebuild
@@ -1,6 +1,6 @@
# Copyright 1999-2014 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20131217.ebuild,v 1.2 2014/02/05 03:04:15 ottxor Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20131217.ebuild,v 1.3 2014/02/06 19:54:16 nicolasbock Exp $
EAPI=5
@@ -51,8 +51,7 @@ KEYWORDS="~amd64"
IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid"
DEPEND="mpi? ( virtual/mpi )"
-RDEPEND="${DEPEND}
- !${CATEGORY}/${PN}:stable"
+RDEPEND="${DEPEND}"
S="${WORKDIR}/${MY_P}"
diff --git a/sci-physics/lammps/lammps-20140122.ebuild b/sci-physics/lammps/lammps-20140122.ebuild
index c52ebdc694af..f7861cfd217a 100644
--- a/sci-physics/lammps/lammps-20140122.ebuild
+++ b/sci-physics/lammps/lammps-20140122.ebuild
@@ -1,6 +1,6 @@
# Copyright 1999-2014 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20140122.ebuild,v 1.2 2014/02/05 03:04:15 ottxor Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20140122.ebuild,v 1.3 2014/02/06 19:54:16 nicolasbock Exp $
EAPI=5
@@ -51,8 +51,7 @@ KEYWORDS="~amd64"
IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid"
DEPEND="mpi? ( virtual/mpi )"
-RDEPEND="${DEPEND}
- !${CATEGORY}/${PN}:stable"
+RDEPEND="${DEPEND}"
S="${WORKDIR}/${MY_P}"
diff --git a/sci-physics/lammps/lammps-20140129.ebuild b/sci-physics/lammps/lammps-20140129.ebuild
index 4ccbe422fb74..f8bc7a4d08f9 100644
--- a/sci-physics/lammps/lammps-20140129.ebuild
+++ b/sci-physics/lammps/lammps-20140129.ebuild
@@ -1,6 +1,6 @@
# Copyright 1999-2014 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20140129.ebuild,v 1.2 2014/02/05 03:04:14 ottxor Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20140129.ebuild,v 1.3 2014/02/06 19:54:16 nicolasbock Exp $
EAPI=5
@@ -51,8 +51,7 @@ KEYWORDS="~amd64"
IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid"
DEPEND="mpi? ( virtual/mpi )"
-RDEPEND="${DEPEND}
- !${CATEGORY}/${PN}:stable"
+RDEPEND="${DEPEND}"
S="${WORKDIR}/${MY_P}"
diff --git a/sci-physics/lammps/lammps-20140201.ebuild b/sci-physics/lammps/lammps-20140201.ebuild
new file mode 100644
index 000000000000..377d90231aeb
--- /dev/null
+++ b/sci-physics/lammps/lammps-20140201.ebuild
@@ -0,0 +1,114 @@
+# Copyright 1999-2014 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20140201.ebuild,v 1.1 2014/02/06 19:54:16 nicolasbock 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/${PF}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}