From: "Christoph Junghans" <ottxor@gentoo.org>
To: gentoo-commits@lists.gentoo.org
Subject: [gentoo-commits] proj/sci:master commit in: sci-physics/lammps/
Date: Thu, 27 Jun 2013 00:01:44 +0000 (UTC) [thread overview]
Message-ID: <1372290781.a6750bd491d834f5e066b606da0200411053ab99.ottxor@gentoo> (raw)
commit: a6750bd491d834f5e066b606da0200411053ab99
Author: Christoph Junghans <ottxor <AT> gentoo <DOT> org>
AuthorDate: Wed Jun 26 23:53:01 2013 +0000
Commit: Christoph Junghans <ottxor <AT> gentoo <DOT> org>
CommitDate: Wed Jun 26 23:53:01 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=a6750bd4
moved to gx86
---
sci-physics/lammps/ChangeLog | 65 ------------------
sci-physics/lammps/lammps-20130512.ebuild | 72 --------------------
sci-physics/lammps/lammps-20130514.ebuild | 75 ---------------------
sci-physics/lammps/lammps-20130526.ebuild | 105 ------------------------------
sci-physics/lammps/metadata.xml | 30 ---------
5 files changed, 347 deletions(-)
diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
deleted file mode 100644
index ac52ff6..0000000
--- a/sci-physics/lammps/ChangeLog
+++ /dev/null
@@ -1,65 +0,0 @@
-# ChangeLog for sci-physics/lammps
-# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
-# $Header: $
-
- 26 Jun 2013; Nicolas Bock <nicolasbock@gmail.com> lammps-20130526.ebuild:
- Bashified package name mangling. Thanks to ottxor for suggesting and helpful
- discussions.
-
- 26 Jun 2013; Nicolas Bock <nicolasbock@gmail.com> lammps-20130526.ebuild:
- Fixed missing use flag.
-
- 26 Jun 2013; Christoph Junghans <ottxor@gentoo.org> lammps-20130526.ebuild:
- clean up
-
- 28 May 2013; Nicolas Bock <nicolasbock@gmail.com> lammps-20130526.ebuild:
- Moved html documentation one folder up.
-
-*lammps-20130526 (28 May 2013)
-
- 28 May 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20130526.ebuild:
- Version bump.
-
- 28 May 2013; Nicolas Bock <nicolasbock@gmail.com> lammps-20130514.ebuild:
- Added html documentation.
-
- 16 May 2013; Nicolas Bock <nicolasbock@gmail.com> lammps-20130514.ebuild:
- Fixed spelling in doc install.
-
-*lammps-20130514 (16 May 2013)
-
- 16 May 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20130514.ebuild:
- Version bump to 14 May 2013.
-
- 15 May 2013; Nicolas Bock <nicolasbock@gmail.com> lammps-20130512.ebuild
- -files/Makefile.gentoo-serial.patch:
- Added mpi use flag. This ebuild builds either the serial version (without the
- mpi use flag), or the parallel version.
-
- 10 May 2013; Nicolas Bock <nicolasbock@gmail.com> lammps-20130512.ebuild:
- Moved a variable definition.
-
- 10 May 2013; Nicolas Bock <nicolasbock@gmail.com> lammps-20130512.ebuild,
- metadata.xml:
- Added more use flags to control the build process. It seems, at least on my
- system, that the LAMMPS_MEMALIGN option is a guarantee for a segfault. I made
- the use of this macro optional.
-
- 10 May 2013; Nicolas Bock <nicolasbock@gmail.com> lammps-20130512.ebuild:
- Cleaned up the make command line arguments.
-
- 10 May 2013; Nicolas Bock <nicolasbock@gmail.com> lammps-20130512.ebuild:
- The meam package doesn't like to be built in parallel.
-
- 10 May 2013; Nicolas Bock <nicolasbock@gmail.com> lammps-20130512.ebuild,
- metadata.xml:
- lammps: Added use flags for some optional packages.
-
- 10 May 2013; Nicolas Bock <nicolasbock@gmail.com> metadata.xml:
- Added maintainer (myself) to metadata.xml for lammps.
-
-*lammps-20130512 (10 May 2013)
-
- 10 May 2013; Nicolas Bock <nicolasbock@gmail.com>
- +files/Makefile.gentoo-serial.patch, +lammps-20130512.ebuild, +metadata.xml:
- Added first draft version of lammps. For now this is only the serial version.
diff --git a/sci-physics/lammps/lammps-20130512.ebuild b/sci-physics/lammps/lammps-20130512.ebuild
deleted file mode 100644
index dcb882e..0000000
--- a/sci-physics/lammps/lammps-20130512.ebuild
+++ /dev/null
@@ -1,72 +0,0 @@
-# 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="12May13"
-
-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) \
- "$@"
-}
-
-src_compile() {
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src stubs
-
- # Build optional packages.
- if use package-meam; then
- lmp_emake -C src yes-meam
- lmp_emake -j1 -C lib/meam -f Makefile.gfortran
- fi
- use package-dipole && emake -C src yes-dipole
- use package-rigid && emake -C src yes-rigid
-
- # Compile.
- lmp_emake -C src serial
-}
-
-src_install() {
- newbin "$S/src/lmp_serial" "lmp"
- if use examples; then
- insinto "/usr/share/doc/${PF}"
- doins -r examples
- fi
- dodoc README
- use doc && dohtml -r docs/*.html
-}
diff --git a/sci-physics/lammps/lammps-20130514.ebuild b/sci-physics/lammps/lammps-20130514.ebuild
deleted file mode 100644
index 61c2e12..0000000
--- a/sci-physics/lammps/lammps-20130514.ebuild
+++ /dev/null
@@ -1,75 +0,0 @@
-# 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="14May13"
-
-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
-}
diff --git a/sci-physics/lammps/lammps-20130526.ebuild b/sci-physics/lammps/lammps-20130526.ebuild
deleted file mode 100644
index cfc247b..0000000
--- a/sci-physics/lammps/lammps-20130526.ebuild
+++ /dev/null
@@ -1,105 +0,0 @@
-# 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
-
-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}-$((${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') \
- "$@"
-}
-
-src_compile() {
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src stubs
-
- # Build optional packages.
- if use package-meam; then
- lmp_emake -C src yes-meam
- lmp_emake -j1 -C lib/meam -f Makefile.gfortran
- fi
- use package-dipole && emake -C src yes-dipole
- use package-rigid && emake -C src yes-rigid
-
- # Compile.
- lmp_emake -C src serial
-}
-
-src_install() {
- newbin "src/lmp_serial" "lmp"
- if use examples; then
- insinto "/usr/share/doc/${PF}"
- doins -r examples
- fi
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/metadata.xml b/sci-physics/lammps/metadata.xml
deleted file mode 100644
index b5e2ddd..0000000
--- a/sci-physics/lammps/metadata.xml
+++ /dev/null
@@ -1,30 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
-<pkgmetadata>
- <longdescription lang="en">
- LAMMPS is a classical molecular dynamics code, and an acronym for
- Large-scale Atomic/Molecular Massively Parallel Simulator.
-
- LAMMPS has potentials for soft materials (biomolecules, polymers) and
- solid-state materials (metals, semiconductors) and coarse-grained or
- mesoscopic systems. It can be used to model atoms or, more generically,
- as a parallel particle simulator at the atomic, meso, or continuum
- scale.
-
- LAMMPS runs on single processors or in parallel using message-passing
- techniques and a spatial-decomposition of the simulation domain. The
- code is designed to be easy to modify or extend with new functionality.
- </longdescription>
- <use>
- <flag name="lammps-memalign">Enables the use of the posix_memalign()
- call instead of malloc() when large chunks or memory are allocated
- by LAMMPS</flag>
- <flag name="package-meam">modified EAM potential</flag>
- <flag name="package-dipole">point dipole particles</flag>
- <flag name="package-rigid">rigid bodies</flag>
- </use>
- <maintainer>
- <email>nicolasbock@gmail.com</email>
- </maintainer>
-</pkgmetadata>
-
next reply other threads:[~2013-06-27 0:01 UTC|newest]
Thread overview: 34+ messages / expand[flat|nested] mbox.gz Atom feed top
2013-06-27 0:01 Christoph Junghans [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
2013-09-18 13:51 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
2013-06-26 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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