* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/, sci-physics/lammps/files/
@ 2016-10-13 12:30 Nicolas Bock
0 siblings, 0 replies; 5+ messages in thread
From: Nicolas Bock @ 2016-10-13 12:30 UTC (permalink / raw
To: gentoo-commits
commit: 8f1eadbaa9a8c06794406723ff90ab4a2be3f812
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Thu Oct 13 12:23:35 2016 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Thu Oct 13 12:29:16 2016 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=8f1eadba
sci-physics/lammps: Fix for gcc-6 (Bug 595728)
Added patch written by Peter Levine <plevine457 <AT> gmail.com>
Package-Manager: portage-2.3.0
sci-physics/lammps/files/gcc-6.patch | 11 +++++++++++
sci-physics/lammps/lammps-20160407.ebuild | 1 +
2 files changed, 12 insertions(+)
diff --git a/sci-physics/lammps/files/gcc-6.patch b/sci-physics/lammps/files/gcc-6.patch
new file mode 100644
index 00000000..ca2bcce
--- /dev/null
+++ b/sci-physics/lammps/files/gcc-6.patch
@@ -0,0 +1,11 @@
+--- lammps-7Apr16-orig/lib/atc/Vector.h 2014-11-20 11:59:03.000000000 -0700
++++ lammps-7Apr16/lib/atc/Vector.h 2016-10-13 06:04:44.328977960 -0600
+@@ -119,7 +119,7 @@
+ {
+ DenseVector<T> r(v);
+ r*=(1.0/s); // for integer types this may be worthless
+- return ;
++ return r;
+ }
+ ///////////////////////////////////////////////////////////////////////////////
+ //* Operator for Vector-Vector sum
diff --git a/sci-physics/lammps/lammps-20160407.ebuild b/sci-physics/lammps/lammps-20160407.ebuild
index d3fac30..cba4974 100644
--- a/sci-physics/lammps/lammps-20160407.ebuild
+++ b/sci-physics/lammps/lammps-20160407.ebuild
@@ -116,6 +116,7 @@ src_prepare() {
# Patch python.
epatch "${FILESDIR}/lammps-python3-r2.patch"
epatch "${FILESDIR}/python-shebang.patch"
+ epatch "${FILESDIR}/gcc-6.patch"
}
src_compile() {
^ permalink raw reply related [flat|nested] 5+ messages in thread* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/, sci-physics/lammps/files/
@ 2021-01-01 1:56 Michał Górny
0 siblings, 0 replies; 5+ messages in thread
From: Michał Górny @ 2021-01-01 1:56 UTC (permalink / raw
To: gentoo-commits
commit: e33e82eaacfcc7d5cf9305ecd6fcefe641de27bc
Author: Michał Górny <mgorny <AT> gentoo <DOT> org>
AuthorDate: Fri Jan 1 01:52:52 2021 +0000
Commit: Michał Górny <mgorny <AT> gentoo <DOT> org>
CommitDate: Fri Jan 1 01:55:54 2021 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=e33e82ea
sci-physics/lammps: Remove old (py3.6)
Signed-off-by: Michał Górny <mgorny <AT> gentoo.org>
sci-physics/lammps/Manifest | 11 ---
sci-physics/lammps/files/1080.patch | 29 ------
sci-physics/lammps/lammps-20180117.ebuild | 132 ---------------------------
sci-physics/lammps/lammps-20180222.ebuild | 132 ---------------------------
sci-physics/lammps/lammps-20180308.ebuild | 132 ---------------------------
sci-physics/lammps/lammps-20180316.ebuild | 132 ---------------------------
sci-physics/lammps/lammps-20180822.ebuild | 131 --------------------------
sci-physics/lammps/lammps-20181212.ebuild | 131 --------------------------
sci-physics/lammps/lammps-20190605.ebuild | 131 --------------------------
sci-physics/lammps/lammps-20190807-r1.ebuild | 131 --------------------------
sci-physics/lammps/lammps-20190807.ebuild | 131 --------------------------
11 files changed, 1223 deletions(-)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 9265c08f59f..4dd18e6d8f5 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,13 +1,2 @@
-DIST lammps-patch_12Dec2018.tar.gz 114619148 BLAKE2B 089e23681e46868d09991ca6525850838100aa74ce8796f3af602c76b74fd55618c91610193cfc22c1201e5417f11998f924642961b62824c0271e208f87b286 SHA512 4794fc9bed7974ec33d54b2843f17b29c61a63f91f76c75bec7f00f6f174901f703130564977f8cf7fa9274e7febe096878dc0fa84d65469a5eb8f9b17b58a5e
-DIST lammps-patch_16Mar2018.tar.gz 91908414 BLAKE2B 0d2363ba507765d439988be9f17390889539ecf22132145f5f5f5411c6c3bf097b278b24b005374e4b176efcfbd01edb48b55076bfa41403718ad14d3905e062 SHA512 2847f9ffa368b966cba4792ebe86ea38dfc1e147647e2b738753121a09689901cea7197d3d95fa69cd065cd1d30aa37cbeffcb78b62ec85d88cd9f3ab25e25c2
-DIST lammps-patch_17Jan2018.tar.gz 91721592 BLAKE2B d606a5fd699f3e7aaa777065532f778e96a5b21b88de3fcce69e79c4931fea233ed1ad68f56120865061623c6e33282b9f23f927a7a9820f8f824a241e5cd823 SHA512 533ada073882e9bfc6431db62c4899005983d9efbbb043bcb50b2b0a7af2b11c411bbcc6523b2ffbd5d46531b24573f4b98a07dc757bacbc2f27bb056d7956ff
-DIST lammps-patch_22Aug2018.tar.gz 108761265 BLAKE2B fc509ccd8f5fda9fea9cf7f54b888df235b5d499a0aa3eee24bba81d35c95355cfc72ebb60f32a4adb879c0ab176659ebe634f9bbaeefd54ffc0d02329054f9f SHA512 bb1c11ef9c287b101b9f3483d6b90e55dc69a048529e5076f6f7d46e54802d0d75efc899865d462f9dd76937089e1080a126c1dc4bbb2648eda91cb38ba142b0
-DIST lammps-patch_22Feb2018.tar.gz 91869050 BLAKE2B 09d364b489d4402145b879ca40b290a4e33f39b6e5e4183bcccb09001002cb742917c8792f942a8b64bd992cde5c0f8dcd8b76506048f1392d33d1192aa4551d SHA512 8d4ac0f9cdcf4caa10bfb48129eec21cf31f7ce881b4cbd803c20fb638f7e55a1e645d314e172fe70eab473a4976c7f482e8c059e0c4e82527eb9438437ae146
-DIST lammps-patch_5Jun2019.tar.gz 106437193 BLAKE2B ce2a89f58fcdc29fbfc6d5e8769e36402569e93182a19835a0482b228ae9f568c1b56d2fc5eb3dac8e94a1289b430279d88c15284e07b5f62049aaf86cca29d3 SHA512 d72a5de3068a902cd8a825c97cd071331d5e3c16429531809178c43930b363f6549bd6802b552c2667e8882f7f21c90bd815072deb5ac19c8687060c796e58b4
-DIST lammps-patch_7Aug2019.tar.gz 105303933 BLAKE2B 8609251a919a88da64f2c0578414567141f128bbce3a447be09a99fb1f96620c15db29b4a312afc536f60237f3010a0753dfefa09d0bdfb3222b8f1491995c70 SHA512 61fff23c90a0f9029363cb90ff972e7e97b0f3be6a8153263b6be4f11960603af7f6c8b26a76b8bdcf25009c68a7a7fab3405a3f47b923695798a60723694001
-DIST lammps-patch_8Mar2018.tar.gz 91878683 BLAKE2B a4cf307769b1ac27c9cbe781a70f307d5275d2ccd4f6f77a2a21f00413ffa0af499577207afd23afd95ef6126071e8b779f6c52d50ff7117afb63161613c9f5b SHA512 57885d12e9e0ea9a6735cc2f7a2a8a9314dacbe9eaf5a46cb6d20fd7e2d0e8b0ebb3e24731eb750861973efe4d3cf0cf5a739cc9d51407f26bf3d556243c186f
DIST lammps-stable_3Mar2020.tar.gz 126001870 BLAKE2B 35ed6ff208fd6dcc8eae50b8e0562a6a0771aa6419c0225353f648d95512ca64b22250ad4a3f9b836b9a25a6838e24e070a1d190fdc02b896dc1ed9838648f01 SHA512 6608cd9f6ea18d8acb55d611a560cb4b329043b41aca23fafd91fac0dfbde5a5286e1a6563bd16b2414bb3bf95929e3a2f270a0b023ce5ede515eb3353d56f04
-DIST lammps-testing-7869c75cac38cb8a3d2ef7747ea12ec5812f5151.tar.gz 54374284 BLAKE2B a223ef3926540660ce28fd2673667840002f6bfbbd5565deb9fb01b994085eb4d6cd24807fab49117a1b328f151d1511b7aa4d2fcdd443d20927112b83d029f0 SHA512 c996f7109d6467ae8e6a8c187485afb7c55b6dcf2b2e7003a8edd271e7f7dfe275079fbb0d680455628c8fd2eb87640284e8a92ffe095fcb398133be587af57a
-DIST lammps-testing-827be7af84ca100d394ea1cf6d3bc49f6a8eef92.tar.gz 55706643 BLAKE2B 7f2753759e1048ee9af58f1b210fe42972cc40b6df3ab5495f66bcfd10f4818f6e2c4e27f759d6ca302024531849286c4709a869984bea3d385cb44412d4d668 SHA512 bfffb0501b7b254dfc2cfcd12945b14766c1addf680d1140a78116b97a2a70795244f3a5a439aaf69ae014e35c454a48e028ca8aa65179e5da5039d6f1676e02
-DIST lammps-testing-d0394a77fa2b4b2d545a73ea092cf6de7616aac8.tar.gz 55715042 BLAKE2B 326f0357b555c030f667c502fd2c2330aa588c4a1224434ef30637ad8c6be49a5b8ee58cbc525b874f665903cf21494b52403c3a53ec0898a8cf81906c614833 SHA512 4a980578ce584b5b9334b4177f4f9188f00ac50ca916ce63a4d2ef034a4fa218366a8f32cc7dc29dc99e6b01e40cf8c8bbf15566840fe07fc5c6c2e8c55ece93
DIST lammps-testing-stable_3Mar2020.tar.gz 55729550 BLAKE2B d0de8efa83342b4a350f17a43d3fe96011534b3f410beb295e396a45200ea56298c14664b290b2e30ab4f2fd70b92c01c73927b2878e8171a166dedee8ecf379 SHA512 e3dc592ce57ae625eb66ddd9ca80d7bbaca57c47a07166a7196dcc3074b574a497e706da8baf93b5deacdf588702ceb141014533ac2aaccdd011836fb34943b9
diff --git a/sci-physics/lammps/files/1080.patch b/sci-physics/lammps/files/1080.patch
deleted file mode 100644
index 85538b2a638..00000000000
--- a/sci-physics/lammps/files/1080.patch
+++ /dev/null
@@ -1,29 +0,0 @@
-From a10bb4b96f40f3b5574b0fade2cfece8bf4c6fc9 Mon Sep 17 00:00:00 2001
-From: Christoph Junghans <junghans@lanl.gov>
-Date: Thu, 23 Aug 2018 15:02:36 -0600
-Subject: [PATCH] cmake: fix link issue with --as-needed
-
----
- cmake/CMakeLists.txt | 5 ++++-
- 1 file changed, 4 insertions(+), 1 deletion(-)
-
-diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
-index 460d177c92..51997593db 100644
---- a/CMakeLists.txt
-+++ b/CMakeLists.txt
-@@ -276,11 +276,14 @@ endif()
-
- if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE)
- find_package(LAPACK)
-- if(NOT LAPACK_FOUND)
-+ find_package(BLAS)
-+ if(NOT LAPACK_FOUND OR NOT BLAS_FOUND)
- enable_language(Fortran)
- file(GLOB LAPACK_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/linalg/*.[fF])
- add_library(linalg STATIC ${LAPACK_SOURCES})
- set(LAPACK_LIBRARIES linalg)
-+ else()
-+ list(APPEND LAPACK_LIBRARIES ${BLAS_LIBRARIES})
- endif()
- endif()
-
diff --git a/sci-physics/lammps/lammps-20180117.ebuild b/sci-physics/lammps/lammps-20180117.ebuild
deleted file mode 100644
index 61fd0f7d470..00000000000
--- a/sci-physics/lammps/lammps-20180117.ebuild
+++ /dev/null
@@ -1,132 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python3_6 )
-
-inherit cmake-utils fortran-2 python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
-RESTRICT="!test? ( test )"
-
-DEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0
- netcdf? ( sci-libs/netcdf )
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- dev-cpp/eigen:3
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}/cmake"
-
-src_configure() {
- local mycmakeargs=(
- -DBUILD_SHARED_LIBS=ON
- -DENABLE_MPI=$(usex mpi)
- -DENABLE_GPU=$(usex cuda)
- -DENABLE_TESTING=$(usex test)
- -DENABLE_ASPHERE=ON
- -DENABLE_BODY=ON
- -DENABLE_CLASS2=ON
- -DENABLE_COLLOID=ON
- -DENABLE_COMPRESS=ON
- -DENABLE_CORESHELL=ON
- -DENABLE_DIPOLE=ON
- -DENABLE_GRANULAR=ON
- -DENABLE_KSPACE=ON
- -DFFT=FFTW3
- -DENABLE_MANYBODY=ON
- -DENABLE_MC=ON
- -DENABLE_MEAM=ON
- -DENABLE_MISC=ON
- -DLAMMPS_XDR=ON #630444
- -DENABLE_MOLECULE=ON
- -DENABLE_PERI=ON
- -DENABLE_QEQ=ON
- -DENABLE_REAX=ON
- -DENABLE_REPLICA=ON
- -DENABLE_RIGID=ON
- -DENABLE_SHOCK=ON
- -DENABLE_SNAP=ON
- -DENABLE_SRD=ON
- -DENABLE_PYTHON=ON
- -DENABLE_MPIIO=$(usex mpi)
- -DENABLE_VORONOI=ON
- -DENABLE_USER-ATC=ON
- -DENABLE_USER-AWPMD=ON
- -DENABLE_USER-CGDNA=ON
- -DENABLE_USER-CGSDK=ON
- -DENABLE_USER-COLVARS=ON
- -DENABLE_USER-DIFFRACTION=ON
- -DENABLE_USER-DPD=ON
- -DENABLE_USER-DRUDE=ON
- -DENABLE_USER-EFF=ON
- -DENABLE_USER-FEP=ON
- -DENABLE_USER-H5MD=$(usex mpi)
- -DENABLE_USER-LB=$(usex mpi)
- -DENABLE_USER-MANIFOLD=ON
- -DENABLE_USER-MEAMC=ON
- -DENABLE_USER-MGPT=ON
- -DENABLE_USER-MISC=ON
- -DENABLE_USER-MOLFILE=ON
- -DENABLE_USER-NETCDF=$(usex netcdf)
- -DENABLE_USER-PHONON=ON
- -DENABLE_USER-QTB=ON
- -DENABLE_USER-REAXC=ON
- -DENABLE_USER-SMD=ON
- -DENABLE_USER-SMTBQ=ON
- -DENABLE_USER-SPH=ON
- -DENABLE_USER-TALLY=ON
- )
- cmake-utils_src_configure
-}
-
-src_install() {
- cmake-utils_src_install
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins "${S}"/../potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
diff --git a/sci-physics/lammps/lammps-20180222.ebuild b/sci-physics/lammps/lammps-20180222.ebuild
deleted file mode 100644
index 61fd0f7d470..00000000000
--- a/sci-physics/lammps/lammps-20180222.ebuild
+++ /dev/null
@@ -1,132 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python3_6 )
-
-inherit cmake-utils fortran-2 python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
-RESTRICT="!test? ( test )"
-
-DEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0
- netcdf? ( sci-libs/netcdf )
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- dev-cpp/eigen:3
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}/cmake"
-
-src_configure() {
- local mycmakeargs=(
- -DBUILD_SHARED_LIBS=ON
- -DENABLE_MPI=$(usex mpi)
- -DENABLE_GPU=$(usex cuda)
- -DENABLE_TESTING=$(usex test)
- -DENABLE_ASPHERE=ON
- -DENABLE_BODY=ON
- -DENABLE_CLASS2=ON
- -DENABLE_COLLOID=ON
- -DENABLE_COMPRESS=ON
- -DENABLE_CORESHELL=ON
- -DENABLE_DIPOLE=ON
- -DENABLE_GRANULAR=ON
- -DENABLE_KSPACE=ON
- -DFFT=FFTW3
- -DENABLE_MANYBODY=ON
- -DENABLE_MC=ON
- -DENABLE_MEAM=ON
- -DENABLE_MISC=ON
- -DLAMMPS_XDR=ON #630444
- -DENABLE_MOLECULE=ON
- -DENABLE_PERI=ON
- -DENABLE_QEQ=ON
- -DENABLE_REAX=ON
- -DENABLE_REPLICA=ON
- -DENABLE_RIGID=ON
- -DENABLE_SHOCK=ON
- -DENABLE_SNAP=ON
- -DENABLE_SRD=ON
- -DENABLE_PYTHON=ON
- -DENABLE_MPIIO=$(usex mpi)
- -DENABLE_VORONOI=ON
- -DENABLE_USER-ATC=ON
- -DENABLE_USER-AWPMD=ON
- -DENABLE_USER-CGDNA=ON
- -DENABLE_USER-CGSDK=ON
- -DENABLE_USER-COLVARS=ON
- -DENABLE_USER-DIFFRACTION=ON
- -DENABLE_USER-DPD=ON
- -DENABLE_USER-DRUDE=ON
- -DENABLE_USER-EFF=ON
- -DENABLE_USER-FEP=ON
- -DENABLE_USER-H5MD=$(usex mpi)
- -DENABLE_USER-LB=$(usex mpi)
- -DENABLE_USER-MANIFOLD=ON
- -DENABLE_USER-MEAMC=ON
- -DENABLE_USER-MGPT=ON
- -DENABLE_USER-MISC=ON
- -DENABLE_USER-MOLFILE=ON
- -DENABLE_USER-NETCDF=$(usex netcdf)
- -DENABLE_USER-PHONON=ON
- -DENABLE_USER-QTB=ON
- -DENABLE_USER-REAXC=ON
- -DENABLE_USER-SMD=ON
- -DENABLE_USER-SMTBQ=ON
- -DENABLE_USER-SPH=ON
- -DENABLE_USER-TALLY=ON
- )
- cmake-utils_src_configure
-}
-
-src_install() {
- cmake-utils_src_install
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins "${S}"/../potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
diff --git a/sci-physics/lammps/lammps-20180308.ebuild b/sci-physics/lammps/lammps-20180308.ebuild
deleted file mode 100644
index 61fd0f7d470..00000000000
--- a/sci-physics/lammps/lammps-20180308.ebuild
+++ /dev/null
@@ -1,132 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python3_6 )
-
-inherit cmake-utils fortran-2 python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
-RESTRICT="!test? ( test )"
-
-DEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0
- netcdf? ( sci-libs/netcdf )
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- dev-cpp/eigen:3
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}/cmake"
-
-src_configure() {
- local mycmakeargs=(
- -DBUILD_SHARED_LIBS=ON
- -DENABLE_MPI=$(usex mpi)
- -DENABLE_GPU=$(usex cuda)
- -DENABLE_TESTING=$(usex test)
- -DENABLE_ASPHERE=ON
- -DENABLE_BODY=ON
- -DENABLE_CLASS2=ON
- -DENABLE_COLLOID=ON
- -DENABLE_COMPRESS=ON
- -DENABLE_CORESHELL=ON
- -DENABLE_DIPOLE=ON
- -DENABLE_GRANULAR=ON
- -DENABLE_KSPACE=ON
- -DFFT=FFTW3
- -DENABLE_MANYBODY=ON
- -DENABLE_MC=ON
- -DENABLE_MEAM=ON
- -DENABLE_MISC=ON
- -DLAMMPS_XDR=ON #630444
- -DENABLE_MOLECULE=ON
- -DENABLE_PERI=ON
- -DENABLE_QEQ=ON
- -DENABLE_REAX=ON
- -DENABLE_REPLICA=ON
- -DENABLE_RIGID=ON
- -DENABLE_SHOCK=ON
- -DENABLE_SNAP=ON
- -DENABLE_SRD=ON
- -DENABLE_PYTHON=ON
- -DENABLE_MPIIO=$(usex mpi)
- -DENABLE_VORONOI=ON
- -DENABLE_USER-ATC=ON
- -DENABLE_USER-AWPMD=ON
- -DENABLE_USER-CGDNA=ON
- -DENABLE_USER-CGSDK=ON
- -DENABLE_USER-COLVARS=ON
- -DENABLE_USER-DIFFRACTION=ON
- -DENABLE_USER-DPD=ON
- -DENABLE_USER-DRUDE=ON
- -DENABLE_USER-EFF=ON
- -DENABLE_USER-FEP=ON
- -DENABLE_USER-H5MD=$(usex mpi)
- -DENABLE_USER-LB=$(usex mpi)
- -DENABLE_USER-MANIFOLD=ON
- -DENABLE_USER-MEAMC=ON
- -DENABLE_USER-MGPT=ON
- -DENABLE_USER-MISC=ON
- -DENABLE_USER-MOLFILE=ON
- -DENABLE_USER-NETCDF=$(usex netcdf)
- -DENABLE_USER-PHONON=ON
- -DENABLE_USER-QTB=ON
- -DENABLE_USER-REAXC=ON
- -DENABLE_USER-SMD=ON
- -DENABLE_USER-SMTBQ=ON
- -DENABLE_USER-SPH=ON
- -DENABLE_USER-TALLY=ON
- )
- cmake-utils_src_configure
-}
-
-src_install() {
- cmake-utils_src_install
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins "${S}"/../potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
diff --git a/sci-physics/lammps/lammps-20180316.ebuild b/sci-physics/lammps/lammps-20180316.ebuild
deleted file mode 100644
index 81370f4910c..00000000000
--- a/sci-physics/lammps/lammps-20180316.ebuild
+++ /dev/null
@@ -1,132 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python3_6 )
-
-inherit cmake-utils fortran-2 python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 x86"
-IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
-RESTRICT="!test? ( test )"
-
-DEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0
- netcdf? ( sci-libs/netcdf )
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- dev-cpp/eigen:3
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}/cmake"
-
-src_configure() {
- local mycmakeargs=(
- -DBUILD_SHARED_LIBS=ON
- -DENABLE_MPI=$(usex mpi)
- -DENABLE_GPU=$(usex cuda)
- -DENABLE_TESTING=$(usex test)
- -DENABLE_ASPHERE=ON
- -DENABLE_BODY=ON
- -DENABLE_CLASS2=ON
- -DENABLE_COLLOID=ON
- -DENABLE_COMPRESS=ON
- -DENABLE_CORESHELL=ON
- -DENABLE_DIPOLE=ON
- -DENABLE_GRANULAR=ON
- -DENABLE_KSPACE=ON
- -DFFT=FFTW3
- -DENABLE_MANYBODY=ON
- -DENABLE_MC=ON
- -DENABLE_MEAM=ON
- -DENABLE_MISC=ON
- -DLAMMPS_XDR=ON #630444
- -DENABLE_MOLECULE=ON
- -DENABLE_PERI=ON
- -DENABLE_QEQ=ON
- -DENABLE_REAX=ON
- -DENABLE_REPLICA=ON
- -DENABLE_RIGID=ON
- -DENABLE_SHOCK=ON
- -DENABLE_SNAP=ON
- -DENABLE_SRD=ON
- -DENABLE_PYTHON=ON
- -DENABLE_MPIIO=$(usex mpi)
- -DENABLE_VORONOI=ON
- -DENABLE_USER-ATC=ON
- -DENABLE_USER-AWPMD=ON
- -DENABLE_USER-CGDNA=ON
- -DENABLE_USER-CGSDK=ON
- -DENABLE_USER-COLVARS=ON
- -DENABLE_USER-DIFFRACTION=ON
- -DENABLE_USER-DPD=ON
- -DENABLE_USER-DRUDE=ON
- -DENABLE_USER-EFF=ON
- -DENABLE_USER-FEP=ON
- -DENABLE_USER-H5MD=$(usex mpi)
- -DENABLE_USER-LB=$(usex mpi)
- -DENABLE_USER-MANIFOLD=ON
- -DENABLE_USER-MEAMC=ON
- -DENABLE_USER-MGPT=ON
- -DENABLE_USER-MISC=ON
- -DENABLE_USER-MOLFILE=ON
- -DENABLE_USER-NETCDF=$(usex netcdf)
- -DENABLE_USER-PHONON=ON
- -DENABLE_USER-QTB=ON
- -DENABLE_USER-REAXC=ON
- -DENABLE_USER-SMD=ON
- -DENABLE_USER-SMTBQ=ON
- -DENABLE_USER-SPH=ON
- -DENABLE_USER-TALLY=ON
- )
- cmake-utils_src_configure
-}
-
-src_install() {
- cmake-utils_src_install
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins "${S}"/../potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
diff --git a/sci-physics/lammps/lammps-20180822.ebuild b/sci-physics/lammps/lammps-20180822.ebuild
deleted file mode 100644
index 7cb2d746322..00000000000
--- a/sci-physics/lammps/lammps-20180822.ebuild
+++ /dev/null
@@ -1,131 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python3_6 )
-
-inherit cmake-utils fortran-2 python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
-RESTRICT="!test? ( test )"
-
-DEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0
- netcdf? ( sci-libs/netcdf )
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- dev-cpp/eigen:3
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-# https://github.com/lammps/lammps/pull/1080
-PATCHES=( "${FILESDIR}/1080.patch" )
-
-S="${WORKDIR}/${MY_P}/cmake"
-
-src_configure() {
- local mycmakeargs=(
- -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
- -DBUILD_SHARED_LIBS=ON
- -DBUILD_MPI=$(usex mpi)
- -DBUILD_LIB=ON
- -DPKG_GPU=$(usex cuda)
- -DGPU_API=CUDA
- -DENABLE_TESTING=$(usex test)
- -DPKG_ASPHERE=ON
- -DPKG_BODY=ON
- -DPKG_CLASS2=ON
- -DPKG_COLLOID=ON
- -DPKG_COMPRESS=ON
- -DPKG_CORESHELL=ON
- -DPKG_DIPOLE=ON
- -DPKG_GRANULAR=ON
- -DPKG_KSPACE=ON
- -DFFT=FFTW3
- -DPKG_MANYBODY=ON
- -DPKG_MC=ON
- -DPKG_MEAM=ON
- -DPKG_MISC=ON
- -DPKG_MOLECULE=ON
- -DPKG_PERI=ON
- -DPKG_QEQ=ON
- -DPKG_REAX=ON
- -DPKG_REPLICA=ON
- -DPKG_RIGID=ON
- -DPKG_SHOCK=ON
- -DPKG_SNAP=ON
- -DPKG_SRD=ON
- -DPKG_PYTHON=ON
- -DPKG_MPIIO=$(usex mpi)
- -DPKG_VORONOI=ON
- -DPKG_USER-ATC=ON
- -DPKG_USER-AWPMD=ON
- -DPKG_USER-CGDNA=ON
- -DPKG_USER-CGSDK=ON
- -DPKG_USER-COLVARS=ON
- -DPKG_USER-DIFFRACTION=ON
- -DPKG_USER-DPD=ON
- -DPKG_USER-DRUDE=ON
- -DPKG_USER-EFF=ON
- -DPKG_USER-FEP=ON
- -DPKG_USER-H5MD=$(usex mpi)
- -DPKG_USER-LB=$(usex mpi)
- -DPKG_USER-MANIFOLD=ON
- -DPKG_USER-MEAMC=ON
- -DPKG_USER-MGPT=ON
- -DPKG_USER-MISC=ON
- -DPKG_USER-MOLFILE=ON
- -DPKG_USER-NETCDF=$(usex netcdf)
- -DPKG_USER-PHONON=ON
- -DPKG_USER-QTB=ON
- -DPKG_USER-REAXC=ON
- -DPKG_USER-SMD=ON
- -DPKG_USER-SMTBQ=ON
- -DPKG_USER-SPH=ON
- -DPKG_USER-TALLY=ON
- )
- cmake-utils_src_configure
-}
-
-src_install() {
- cmake-utils_src_install
-
- # Install python script.
- use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
diff --git a/sci-physics/lammps/lammps-20181212.ebuild b/sci-physics/lammps/lammps-20181212.ebuild
deleted file mode 100644
index b6316498672..00000000000
--- a/sci-physics/lammps/lammps-20181212.ebuild
+++ /dev/null
@@ -1,131 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python3_6 )
-
-inherit cmake-utils fortran-2 python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-TCOMMIT=7869c75cac38cb8a3d2ef7747ea12ec5812f5151
-SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz
- test? ( https://github.com/lammps/lammps-testing/archive/${TCOMMIT}.tar.gz -> ${PN}-testing-${TCOMMIT}.tar.gz )"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
-RESTRICT="!test? ( test )"
-
-DEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0
- netcdf? ( sci-libs/netcdf )
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- dev-cpp/eigen:3
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}/cmake"
-
-src_configure() {
- local mycmakeargs=(
- -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
- -DBUILD_SHARED_LIBS=ON
- -DBUILD_MPI=$(usex mpi)
- -DBUILD_LIB=ON
- -DPKG_GPU=$(usex cuda)
- -DGPU_API=CUDA
- -DENABLE_TESTING=$(usex test)
- -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*)
- -DPKG_ASPHERE=ON
- -DPKG_BODY=ON
- -DPKG_CLASS2=ON
- -DPKG_COLLOID=ON
- -DPKG_COMPRESS=ON
- -DPKG_CORESHELL=ON
- -DPKG_DIPOLE=ON
- -DPKG_GRANULAR=ON
- -DPKG_KSPACE=ON
- -DFFT=FFTW3
- -DPKG_MANYBODY=ON
- -DPKG_MC=ON
- -DPKG_MEAM=ON
- -DPKG_MISC=ON
- -DPKG_MOLECULE=ON
- -DPKG_PERI=ON
- -DPKG_QEQ=ON
- -DPKG_REAX=ON
- -DPKG_REPLICA=ON
- -DPKG_RIGID=ON
- -DPKG_SHOCK=ON
- -DPKG_SNAP=ON
- -DPKG_SRD=ON
- -DPKG_PYTHON=ON
- -DPKG_MPIIO=$(usex mpi)
- -DPKG_VORONOI=ON
- -DPKG_USER-ATC=ON
- -DPKG_USER-AWPMD=ON
- -DPKG_USER-CGDNA=ON
- -DPKG_USER-CGSDK=ON
- -DPKG_USER-COLVARS=ON
- -DPKG_USER-DIFFRACTION=ON
- -DPKG_USER-DPD=ON
- -DPKG_USER-DRUDE=ON
- -DPKG_USER-EFF=ON
- -DPKG_USER-FEP=ON
- -DPKG_USER-H5MD=$(usex mpi)
- -DPKG_USER-LB=$(usex mpi)
- -DPKG_USER-MANIFOLD=ON
- -DPKG_USER-MEAMC=ON
- -DPKG_USER-MGPT=ON
- -DPKG_USER-MISC=ON
- -DPKG_USER-MOLFILE=ON
- -DPKG_USER-NETCDF=$(usex netcdf)
- -DPKG_USER-PHONON=ON
- -DPKG_USER-QTB=ON
- -DPKG_USER-REAXC=ON
- -DPKG_USER-SMD=ON
- -DPKG_USER-SMTBQ=ON
- -DPKG_USER-SPH=ON
- -DPKG_USER-TALLY=ON
- )
- cmake-utils_src_configure
-}
-
-src_install() {
- cmake-utils_src_install
-
- # Install python script.
- use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
diff --git a/sci-physics/lammps/lammps-20190605.ebuild b/sci-physics/lammps/lammps-20190605.ebuild
deleted file mode 100644
index c09f35787c0..00000000000
--- a/sci-physics/lammps/lammps-20190605.ebuild
+++ /dev/null
@@ -1,131 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python3_6 )
-
-inherit cmake-utils fortran-2 python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-TCOMMIT=827be7af84ca100d394ea1cf6d3bc49f6a8eef92
-SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz
- test? ( https://github.com/lammps/lammps-testing/archive/${TCOMMIT}.tar.gz -> ${PN}-testing-${TCOMMIT}.tar.gz )"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
-RESTRICT="!test? ( test )"
-
-DEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0
- netcdf? ( sci-libs/netcdf )
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- dev-cpp/eigen:3
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}/cmake"
-
-src_configure() {
- local mycmakeargs=(
- -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
- -DBUILD_SHARED_LIBS=ON
- -DBUILD_MPI=$(usex mpi)
- -DBUILD_LIB=ON
- -DPKG_GPU=$(usex cuda)
- -DGPU_API=CUDA
- -DENABLE_TESTING=$(usex test)
- -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*)
- -DPKG_ASPHERE=ON
- -DPKG_BODY=ON
- -DPKG_CLASS2=ON
- -DPKG_COLLOID=ON
- -DPKG_COMPRESS=ON
- -DPKG_CORESHELL=ON
- -DPKG_DIPOLE=ON
- -DPKG_GRANULAR=ON
- -DPKG_KSPACE=ON
- -DFFT=FFTW3
- -DPKG_MANYBODY=ON
- -DPKG_MC=ON
- -DPKG_MEAM=ON
- -DPKG_MISC=ON
- -DPKG_MOLECULE=ON
- -DPKG_PERI=ON
- -DPKG_QEQ=ON
- -DPKG_REAX=ON
- -DPKG_REPLICA=ON
- -DPKG_RIGID=ON
- -DPKG_SHOCK=ON
- -DPKG_SNAP=ON
- -DPKG_SRD=ON
- -DPKG_PYTHON=ON
- -DPKG_MPIIO=$(usex mpi)
- -DPKG_VORONOI=ON
- -DPKG_USER-ATC=ON
- -DPKG_USER-AWPMD=ON
- -DPKG_USER-CGDNA=ON
- -DPKG_USER-CGSDK=ON
- -DPKG_USER-COLVARS=ON
- -DPKG_USER-DIFFRACTION=ON
- -DPKG_USER-DPD=ON
- -DPKG_USER-DRUDE=ON
- -DPKG_USER-EFF=ON
- -DPKG_USER-FEP=ON
- -DPKG_USER-H5MD=$(usex mpi)
- -DPKG_USER-LB=$(usex mpi)
- -DPKG_USER-MANIFOLD=ON
- -DPKG_USER-MEAMC=ON
- -DPKG_USER-MGPT=ON
- -DPKG_USER-MISC=ON
- -DPKG_USER-MOLFILE=ON
- -DPKG_USER-NETCDF=$(usex netcdf)
- -DPKG_USER-PHONON=ON
- -DPKG_USER-QTB=ON
- -DPKG_USER-REAXC=ON
- -DPKG_USER-SMD=ON
- -DPKG_USER-SMTBQ=ON
- -DPKG_USER-SPH=ON
- -DPKG_USER-TALLY=ON
- )
- cmake-utils_src_configure
-}
-
-src_install() {
- cmake-utils_src_install
-
- # Install python script.
- use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
diff --git a/sci-physics/lammps/lammps-20190807-r1.ebuild b/sci-physics/lammps/lammps-20190807-r1.ebuild
deleted file mode 100644
index b1341c65e68..00000000000
--- a/sci-physics/lammps/lammps-20190807-r1.ebuild
+++ /dev/null
@@ -1,131 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python3_{6,7} )
-
-inherit cmake-utils fortran-2 python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-TCOMMIT=d0394a77fa2b4b2d545a73ea092cf6de7616aac8
-SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz
- test? ( https://github.com/lammps/lammps-testing/archive/${TCOMMIT}.tar.gz -> ${PN}-testing-${TCOMMIT}.tar.gz )"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
-RESTRICT="!test? ( test )"
-
-DEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0
- netcdf? ( sci-libs/netcdf )
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- dev-cpp/eigen:3
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}/cmake"
-
-src_configure() {
- local mycmakeargs=(
- -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
- -DBUILD_SHARED_LIBS=ON
- -DBUILD_MPI=$(usex mpi)
- -DBUILD_LIB=ON
- -DPKG_GPU=$(usex cuda)
- -DGPU_API=CUDA
- -DENABLE_TESTING=$(usex test)
- -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*)
- -DPKG_ASPHERE=ON
- -DPKG_BODY=ON
- -DPKG_CLASS2=ON
- -DPKG_COLLOID=ON
- -DPKG_COMPRESS=ON
- -DPKG_CORESHELL=ON
- -DPKG_DIPOLE=ON
- -DPKG_GRANULAR=ON
- -DPKG_KSPACE=ON
- -DFFT=FFTW3
- -DPKG_MANYBODY=ON
- -DPKG_MC=ON
- -DPKG_MEAM=ON
- -DPKG_MISC=ON
- -DPKG_MOLECULE=ON
- -DPKG_PERI=ON
- -DPKG_QEQ=ON
- -DPKG_REAX=ON
- -DPKG_REPLICA=ON
- -DPKG_RIGID=ON
- -DPKG_SHOCK=ON
- -DPKG_SNAP=ON
- -DPKG_SRD=ON
- -DPKG_PYTHON=ON
- -DPKG_MPIIO=$(usex mpi)
- -DPKG_VORONOI=ON
- -DPKG_USER-ATC=ON
- -DPKG_USER-AWPMD=ON
- -DPKG_USER-CGDNA=ON
- -DPKG_USER-CGSDK=ON
- -DPKG_USER-COLVARS=ON
- -DPKG_USER-DIFFRACTION=ON
- -DPKG_USER-DPD=ON
- -DPKG_USER-DRUDE=ON
- -DPKG_USER-EFF=ON
- -DPKG_USER-FEP=ON
- -DPKG_USER-H5MD=$(usex mpi)
- -DPKG_USER-LB=$(usex mpi)
- -DPKG_USER-MANIFOLD=ON
- -DPKG_USER-MEAMC=ON
- -DPKG_USER-MGPT=ON
- -DPKG_USER-MISC=ON
- -DPKG_USER-MOLFILE=ON
- -DPKG_USER-NETCDF=$(usex netcdf)
- -DPKG_USER-PHONON=ON
- -DPKG_USER-QTB=ON
- -DPKG_USER-REAXC=ON
- -DPKG_USER-SMD=ON
- -DPKG_USER-SMTBQ=ON
- -DPKG_USER-SPH=ON
- -DPKG_USER-TALLY=ON
- )
- cmake-utils_src_configure
-}
-
-src_install() {
- cmake-utils_src_install
-
- # Install python script.
- use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
diff --git a/sci-physics/lammps/lammps-20190807.ebuild b/sci-physics/lammps/lammps-20190807.ebuild
deleted file mode 100644
index 1b0598ab8f6..00000000000
--- a/sci-physics/lammps/lammps-20190807.ebuild
+++ /dev/null
@@ -1,131 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python3_6 )
-
-inherit cmake-utils fortran-2 python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-TCOMMIT=d0394a77fa2b4b2d545a73ea092cf6de7616aac8
-SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz
- test? ( https://github.com/lammps/lammps-testing/archive/${TCOMMIT}.tar.gz -> ${PN}-testing-${TCOMMIT}.tar.gz )"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
-RESTRICT="!test? ( test )"
-
-DEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0
- netcdf? ( sci-libs/netcdf )
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- dev-cpp/eigen:3
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}/cmake"
-
-src_configure() {
- local mycmakeargs=(
- -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
- -DBUILD_SHARED_LIBS=ON
- -DBUILD_MPI=$(usex mpi)
- -DBUILD_LIB=ON
- -DPKG_GPU=$(usex cuda)
- -DGPU_API=CUDA
- -DENABLE_TESTING=$(usex test)
- -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*)
- -DPKG_ASPHERE=ON
- -DPKG_BODY=ON
- -DPKG_CLASS2=ON
- -DPKG_COLLOID=ON
- -DPKG_COMPRESS=ON
- -DPKG_CORESHELL=ON
- -DPKG_DIPOLE=ON
- -DPKG_GRANULAR=ON
- -DPKG_KSPACE=ON
- -DFFT=FFTW3
- -DPKG_MANYBODY=ON
- -DPKG_MC=ON
- -DPKG_MEAM=ON
- -DPKG_MISC=ON
- -DPKG_MOLECULE=ON
- -DPKG_PERI=ON
- -DPKG_QEQ=ON
- -DPKG_REAX=ON
- -DPKG_REPLICA=ON
- -DPKG_RIGID=ON
- -DPKG_SHOCK=ON
- -DPKG_SNAP=ON
- -DPKG_SRD=ON
- -DPKG_PYTHON=ON
- -DPKG_MPIIO=$(usex mpi)
- -DPKG_VORONOI=ON
- -DPKG_USER-ATC=ON
- -DPKG_USER-AWPMD=ON
- -DPKG_USER-CGDNA=ON
- -DPKG_USER-CGSDK=ON
- -DPKG_USER-COLVARS=ON
- -DPKG_USER-DIFFRACTION=ON
- -DPKG_USER-DPD=ON
- -DPKG_USER-DRUDE=ON
- -DPKG_USER-EFF=ON
- -DPKG_USER-FEP=ON
- -DPKG_USER-H5MD=$(usex mpi)
- -DPKG_USER-LB=$(usex mpi)
- -DPKG_USER-MANIFOLD=ON
- -DPKG_USER-MEAMC=ON
- -DPKG_USER-MGPT=ON
- -DPKG_USER-MISC=ON
- -DPKG_USER-MOLFILE=ON
- -DPKG_USER-NETCDF=$(usex netcdf)
- -DPKG_USER-PHONON=ON
- -DPKG_USER-QTB=ON
- -DPKG_USER-REAXC=ON
- -DPKG_USER-SMD=ON
- -DPKG_USER-SMTBQ=ON
- -DPKG_USER-SPH=ON
- -DPKG_USER-TALLY=ON
- )
- cmake-utils_src_configure
-}
-
-src_install() {
- cmake-utils_src_install
-
- # Install python script.
- use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
^ permalink raw reply related [flat|nested] 5+ messages in thread* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/, sci-physics/lammps/files/
@ 2018-08-23 23:21 Christoph Junghans
0 siblings, 0 replies; 5+ messages in thread
From: Christoph Junghans @ 2018-08-23 23:21 UTC (permalink / raw
To: gentoo-commits
commit: b16e2bf244f7dca3c69b3462ed859ed258f27b84
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Thu Aug 23 23:12:47 2018 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Thu Aug 23 23:21:18 2018 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=b16e2bf2
sci-physics/lammps: version bump
Package-Manager: Portage-2.3.40, Repoman-2.3.9
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/files/1080.patch | 29 +++++++
sci-physics/lammps/lammps-20180822.ebuild | 129 ++++++++++++++++++++++++++++++
3 files changed, 159 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 8d712bc43ca..9a6f88c64df 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -21,5 +21,6 @@ DIST lammps-9Jan17.tar.gz 109694893 BLAKE2B dc3af18d4a7db43d22bc4d2ed79366f7f1b7
DIST lammps-patch_16Mar2018.tar.gz 91908414 BLAKE2B 0d2363ba507765d439988be9f17390889539ecf22132145f5f5f5411c6c3bf097b278b24b005374e4b176efcfbd01edb48b55076bfa41403718ad14d3905e062 SHA512 2847f9ffa368b966cba4792ebe86ea38dfc1e147647e2b738753121a09689901cea7197d3d95fa69cd065cd1d30aa37cbeffcb78b62ec85d88cd9f3ab25e25c2
DIST lammps-patch_17Jan2018.tar.gz 91721592 BLAKE2B d606a5fd699f3e7aaa777065532f778e96a5b21b88de3fcce69e79c4931fea233ed1ad68f56120865061623c6e33282b9f23f927a7a9820f8f824a241e5cd823 SHA512 533ada073882e9bfc6431db62c4899005983d9efbbb043bcb50b2b0a7af2b11c411bbcc6523b2ffbd5d46531b24573f4b98a07dc757bacbc2f27bb056d7956ff
DIST lammps-patch_1Sep2017.tar.gz 88751184 BLAKE2B 013ba612c67767c0e11b64f0b726a81c534ceb763ac9eba9a94ef9e02166278c28cb5937162b83f783b80fef6471b0e265e45245cc5594eaa2b27ec2d5f972cf SHA512 01b56484d6e9d03c0cdc2f8100f571d6e0a354b08bda7f22176744f2724e566443514e7d8abb0571d4207709155441644d4c6dbcf17ee2a8dc4f10cb6c3e8ac1
+DIST lammps-patch_22Aug2018.tar.gz 108761265 BLAKE2B fc509ccd8f5fda9fea9cf7f54b888df235b5d499a0aa3eee24bba81d35c95355cfc72ebb60f32a4adb879c0ab176659ebe634f9bbaeefd54ffc0d02329054f9f SHA512 bb1c11ef9c287b101b9f3483d6b90e55dc69a048529e5076f6f7d46e54802d0d75efc899865d462f9dd76937089e1080a126c1dc4bbb2648eda91cb38ba142b0
DIST lammps-patch_22Feb2018.tar.gz 91869050 BLAKE2B 09d364b489d4402145b879ca40b290a4e33f39b6e5e4183bcccb09001002cb742917c8792f942a8b64bd992cde5c0f8dcd8b76506048f1392d33d1192aa4551d SHA512 8d4ac0f9cdcf4caa10bfb48129eec21cf31f7ce881b4cbd803c20fb638f7e55a1e645d314e172fe70eab473a4976c7f482e8c059e0c4e82527eb9438437ae146
DIST lammps-patch_8Mar2018.tar.gz 91878683 BLAKE2B a4cf307769b1ac27c9cbe781a70f307d5275d2ccd4f6f77a2a21f00413ffa0af499577207afd23afd95ef6126071e8b779f6c52d50ff7117afb63161613c9f5b SHA512 57885d12e9e0ea9a6735cc2f7a2a8a9314dacbe9eaf5a46cb6d20fd7e2d0e8b0ebb3e24731eb750861973efe4d3cf0cf5a739cc9d51407f26bf3d556243c186f
diff --git a/sci-physics/lammps/files/1080.patch b/sci-physics/lammps/files/1080.patch
new file mode 100644
index 00000000000..85538b2a638
--- /dev/null
+++ b/sci-physics/lammps/files/1080.patch
@@ -0,0 +1,29 @@
+From a10bb4b96f40f3b5574b0fade2cfece8bf4c6fc9 Mon Sep 17 00:00:00 2001
+From: Christoph Junghans <junghans@lanl.gov>
+Date: Thu, 23 Aug 2018 15:02:36 -0600
+Subject: [PATCH] cmake: fix link issue with --as-needed
+
+---
+ cmake/CMakeLists.txt | 5 ++++-
+ 1 file changed, 4 insertions(+), 1 deletion(-)
+
+diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
+index 460d177c92..51997593db 100644
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -276,11 +276,14 @@ endif()
+
+ if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE)
+ find_package(LAPACK)
+- if(NOT LAPACK_FOUND)
++ find_package(BLAS)
++ if(NOT LAPACK_FOUND OR NOT BLAS_FOUND)
+ enable_language(Fortran)
+ file(GLOB LAPACK_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/linalg/*.[fF])
+ add_library(linalg STATIC ${LAPACK_SOURCES})
+ set(LAPACK_LIBRARIES linalg)
++ else()
++ list(APPEND LAPACK_LIBRARIES ${BLAS_LIBRARIES})
+ endif()
+ endif()
+
diff --git a/sci-physics/lammps/lammps-20180822.ebuild b/sci-physics/lammps/lammps-20180822.ebuild
new file mode 100644
index 00000000000..dfa18f8327b
--- /dev/null
+++ b/sci-physics/lammps/lammps-20180822.ebuild
@@ -0,0 +1,129 @@
+# Copyright 1999-2018 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_4,3_5,3_6} )
+
+inherit cmake-utils fortran-2 python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+
+DEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0
+ netcdf? ( sci-libs/netcdf )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ dev-cpp/eigen:3
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+# https://github.com/lammps/lammps/pull/1080
+PATCHES=( "${FILESDIR}/1080.patch" )
+
+S="${WORKDIR}/${MY_P}/cmake"
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
+ -DBUILD_SHARED_LIBS=ON
+ -DBUILD_MPI=$(usex mpi)
+ -DPKG_GPU=$(usex cuda)
+ -DGPU_API=CUDA
+ -DENABLE_TESTING=$(usex test)
+ -DPKG_ASPHERE=ON
+ -DPKG_BODY=ON
+ -DPKG_CLASS2=ON
+ -DPKG_COLLOID=ON
+ -DPKG_COMPRESS=ON
+ -DPKG_CORESHELL=ON
+ -DPKG_DIPOLE=ON
+ -DPKG_GRANULAR=ON
+ -DPKG_KSPACE=ON
+ -DFFT=FFTW3
+ -DPKG_MANYBODY=ON
+ -DPKG_MC=ON
+ -DPKG_MEAM=ON
+ -DPKG_MISC=ON
+ -DPKG_MOLECULE=ON
+ -DPKG_PERI=ON
+ -DPKG_QEQ=ON
+ -DPKG_REAX=ON
+ -DPKG_REPLICA=ON
+ -DPKG_RIGID=ON
+ -DPKG_SHOCK=ON
+ -DPKG_SNAP=ON
+ -DPKG_SRD=ON
+ -DPKG_PYTHON=ON
+ -DPKG_MPIIO=$(usex mpi)
+ -DPKG_VORONOI=ON
+ -DPKG_USER-ATC=ON
+ -DPKG_USER-AWPMD=ON
+ -DPKG_USER-CGDNA=ON
+ -DPKG_USER-CGSDK=ON
+ -DPKG_USER-COLVARS=ON
+ -DPKG_USER-DIFFRACTION=ON
+ -DPKG_USER-DPD=ON
+ -DPKG_USER-DRUDE=ON
+ -DPKG_USER-EFF=ON
+ -DPKG_USER-FEP=ON
+ -DPKG_USER-H5MD=$(usex mpi)
+ -DPKG_USER-LB=$(usex mpi)
+ -DPKG_USER-MANIFOLD=ON
+ -DPKG_USER-MEAMC=ON
+ -DPKG_USER-MGPT=ON
+ -DPKG_USER-MISC=ON
+ -DPKG_USER-MOLFILE=ON
+ -DPKG_USER-NETCDF=$(usex netcdf)
+ -DPKG_USER-PHONON=ON
+ -DPKG_USER-QTB=ON
+ -DPKG_USER-REAXC=ON
+ -DPKG_USER-SMD=ON
+ -DPKG_USER-SMTBQ=ON
+ -DPKG_USER-SPH=ON
+ -DPKG_USER-TALLY=ON
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 5+ messages in thread* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/, sci-physics/lammps/files/
@ 2016-04-13 7:12 Nicolas Bock
0 siblings, 0 replies; 5+ messages in thread
From: Nicolas Bock @ 2016-04-13 7:12 UTC (permalink / raw
To: gentoo-commits
commit: 5da33f4d97bcd780a78fb538ec3e49541e80c73c
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Wed Apr 13 07:12:03 2016 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Wed Apr 13 07:12:29 2016 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5da33f4d
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.26
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/files/lammps-python3-r2.patch | 11 ++
sci-physics/lammps/lammps-20160301.ebuild | 218 +++++++++++++++++++++++
3 files changed, 230 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 95f3b49..b11ce0c 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -4,6 +4,7 @@ DIST lammps-11Dec15.tar.gz 82386057 SHA256 f95cce2efa5f9d5649de22c19c96281f3af7b
DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512 a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2 WHIRLPOOL 21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3
DIST lammps-15Jan16.tar.gz 85956338 SHA256 e90816bf20622200f5037415e5c45a0f950f7407886121708b794b1e75b93c3a SHA512 7dc2043afba78ec8d61b5880b6123952b42e5076fe7e3c3855186215054bc28710b89fd5b015d495fcfe38d5970efd43f3e6e834e80f39b6305b551d39f5eeab WHIRLPOOL 13bd3f41047492035c24e11d47b36ec8565d226738be492159ba498827c79eab4a7ec7402e037820b635b0d8d4c56fbdedea482f2f93e370275d717c93bc281c
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
+DIST lammps-1Mar16.tar.gz 87945422 SHA256 af2bd7ab2a28aa14b8afa3d8703cbaf27d924400e237bf44e9e2da091c0b91eb SHA512 25b59f840187053a9f47bc41f5d0b29a69ac507e05528fb3e84c2bb8facd90fff95e99cbd8707c8d087371355a2e1c5af1eb3e4115b788444af5d129e754fe9d WHIRLPOOL b45f4ca459a88770c6d194f609f55694bdb50b7a54cf57a34995e4d3f6f0b432f99fdd9c7187c8e614a98b31387bfcc259baa9218f2c3bb5e146991c3a113207
DIST lammps-20Nov15.tar.gz 90227651 SHA256 7c392c848e73335226b2fef6bb8034b1152f91862d955a3bae00502bf9d8e8fe SHA512 4bff70e45fb30be10a33b4c6c60b73cceddf8d42588b0630b4802f1e61dea3c237c01c3667585ad210ef2cdb811491b1b8495718a90bb57853c58245e29d1fe4 WHIRLPOOL a01f54911a5edb666ef5af5302cf60d61d58d20f2112578e4d7bd16787b2bf59da09e9fe7ffa021fb6a97db40b23301ed77010f48a05e5471742c0e71413b7e1
DIST lammps-22Jan16.tar.gz 85952234 SHA256 46425bf0ae73f716195a29dc9823c2c5989504f85b49a316bc304caaf6e6a674 SHA512 3ceeeaf76621bbc11ea25d5fb321b602b34ffb3893898a704b02e5cd428a36b2017006fdc1f7b1c5f957c33f26ca103a2939538ae7937555e0b25b5852cd48f3 WHIRLPOOL 7f61ea1924eceb190b7cf56ed32db75f6a45c99dbf1522862124f59acd1f79b1a46310d5e31a988011461a55c319677eaec2bf713e9a5cda0411b5d2280aa784
DIST lammps-22Oct15.tar.gz 87938562 SHA256 8376b52e8eef4d1c3628c15ff358ecf74303e308566f41fd055701f6af3b6484 SHA512 cbe61420cccd11cd444423214802dfd2d1b2b1b28511a53dbf22e993fa3592404e8dda29fcb7bcd4e6e2d1e2251ddc6f020d48bafa66c8fceaa27d4af2e21640 WHIRLPOOL 11d09b18ff742d6ac4fcb400df93d7ac29144ee554f7241e58da80d039a99ef23b4b81709170ed12215693de97b6b48c9a6967d7d0539fd7f2f172a1e0a83661
diff --git a/sci-physics/lammps/files/lammps-python3-r2.patch b/sci-physics/lammps/files/lammps-python3-r2.patch
new file mode 100644
index 0000000..a447c4b
--- /dev/null
+++ b/sci-physics/lammps/files/lammps-python3-r2.patch
@@ -0,0 +1,11 @@
+--- lammps-23Mar16/python/lammps.py (original)
++++ lammps-23Mar16/python/lammps.py (refactored)
+@@ -208,7 +208,7 @@
+ result = (c_double*nlocal)()
+ self.lib.lammps_extract_variable.restype = POINTER(c_double)
+ ptr = self.lib.lammps_extract_variable(self.lmp,name,group)
+- for i in xrange(nlocal): result[i] = ptr[i]
++ for i in range(nlocal): result[i] = ptr[i]
+ self.lib.lammps_free(ptr)
+ return result
+ return None
diff --git a/sci-physics/lammps/lammps-20160301.ebuild b/sci-physics/lammps/lammps-20160301.ebuild
new file mode 100644
index 0000000..08762c3
--- /dev/null
+++ b/sci-physics/lammps/lammps-20160301.ebuild
@@ -0,0 +1,218 @@
+# Copyright 1999-2016 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+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 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+# blas/lapack is needed by the ATC package which is only built with MPI.
+DEPEND="
+ gzip? ( app-arch/gzip )
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(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="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r2.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
+ # "mpi.h"' which requires an additional '-I.'.
+ append-cxxflags -I.
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 5+ messages in thread* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/, sci-physics/lammps/files/
@ 2015-09-08 12:04 Nicolas Bock
0 siblings, 0 replies; 5+ messages in thread
From: Nicolas Bock @ 2015-09-08 12:04 UTC (permalink / raw
To: gentoo-commits
commit: 7832f53e7d3f421a9961ece8fd9252cc6387bf71
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Tue Sep 8 12:04:24 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Tue Sep 8 12:04:24 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=7832f53e
sci-physics/lammps: Fix broken python3 patch.
Package-Manager: portage-2.2.20.1
sci-physics/lammps/files/lammps-python3-r1.patch | 11 +++++++++++
sci-physics/lammps/lammps-20150904.ebuild | 2 +-
2 files changed, 12 insertions(+), 1 deletion(-)
diff --git a/sci-physics/lammps/files/lammps-python3-r1.patch b/sci-physics/lammps/files/lammps-python3-r1.patch
new file mode 100644
index 0000000..2dc2bd7
--- /dev/null
+++ b/sci-physics/lammps/files/lammps-python3-r1.patch
@@ -0,0 +1,11 @@
+--- lammps-4Sep15-orig/python/lammps.py 2015-09-02 14:41:38.000000000 -0600
++++ lammps-4Sep15/python/lammps.py 2015-09-08 05:59:16.000000000 -0600
+@@ -33,7 +33,7 @@
+ except:
+ type,value,tb = sys.exc_info()
+ traceback.print_exception(type,value,tb)
+- raise OSError,"Could not load LAMMPS dynamic library from %s" % modpath
++ raise OSError("Could not load LAMMPS dynamic library from %s" % modpath)
+
+ # if no ptr provided, create an instance of LAMMPS
+ # don't know how to pass an MPI communicator from PyPar
diff --git a/sci-physics/lammps/lammps-20150904.ebuild b/sci-physics/lammps/lammps-20150904.ebuild
index 1a244c8..5400e87 100644
--- a/sci-physics/lammps/lammps-20150904.ebuild
+++ b/sci-physics/lammps/lammps-20150904.ebuild
@@ -167,7 +167,7 @@ src_prepare() {
tools/Makefile || die
# Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
epatch "${FILESDIR}/python-shebang.patch"
}
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