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sci-physics/lammps: Remove old (py3.6)
Signed-off-by: Michał Górny <mgorny@gentoo.org>
This commit is contained in:
Michał Górny
@@ -1,13 +1,2 @@
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DIST lammps-patch_12Dec2018.tar.gz 114619148 BLAKE2B 089e23681e46868d09991ca6525850838100aa74ce8796f3af602c76b74fd55618c91610193cfc22c1201e5417f11998f924642961b62824c0271e208f87b286 SHA512 4794fc9bed7974ec33d54b2843f17b29c61a63f91f76c75bec7f00f6f174901f703130564977f8cf7fa9274e7febe096878dc0fa84d65469a5eb8f9b17b58a5e
|
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DIST lammps-patch_16Mar2018.tar.gz 91908414 BLAKE2B 0d2363ba507765d439988be9f17390889539ecf22132145f5f5f5411c6c3bf097b278b24b005374e4b176efcfbd01edb48b55076bfa41403718ad14d3905e062 SHA512 2847f9ffa368b966cba4792ebe86ea38dfc1e147647e2b738753121a09689901cea7197d3d95fa69cd065cd1d30aa37cbeffcb78b62ec85d88cd9f3ab25e25c2
|
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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
|
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DIST lammps-patch_7Aug2019.tar.gz 105303933 BLAKE2B 8609251a919a88da64f2c0578414567141f128bbce3a447be09a99fb1f96620c15db29b4a312afc536f60237f3010a0753dfefa09d0bdfb3222b8f1491995c70 SHA512 61fff23c90a0f9029363cb90ff972e7e97b0f3be6a8153263b6be4f11960603af7f6c8b26a76b8bdcf25009c68a7a7fab3405a3f47b923695798a60723694001
|
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DIST lammps-patch_8Mar2018.tar.gz 91878683 BLAKE2B a4cf307769b1ac27c9cbe781a70f307d5275d2ccd4f6f77a2a21f00413ffa0af499577207afd23afd95ef6126071e8b779f6c52d50ff7117afb63161613c9f5b SHA512 57885d12e9e0ea9a6735cc2f7a2a8a9314dacbe9eaf5a46cb6d20fd7e2d0e8b0ebb3e24731eb750861973efe4d3cf0cf5a739cc9d51407f26bf3d556243c186f
|
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DIST lammps-stable_3Mar2020.tar.gz 126001870 BLAKE2B 35ed6ff208fd6dcc8eae50b8e0562a6a0771aa6419c0225353f648d95512ca64b22250ad4a3f9b836b9a25a6838e24e070a1d190fdc02b896dc1ed9838648f01 SHA512 6608cd9f6ea18d8acb55d611a560cb4b329043b41aca23fafd91fac0dfbde5a5286e1a6563bd16b2414bb3bf95929e3a2f270a0b023ce5ede515eb3353d56f04
|
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DIST lammps-testing-7869c75cac38cb8a3d2ef7747ea12ec5812f5151.tar.gz 54374284 BLAKE2B a223ef3926540660ce28fd2673667840002f6bfbbd5565deb9fb01b994085eb4d6cd24807fab49117a1b328f151d1511b7aa4d2fcdd443d20927112b83d029f0 SHA512 c996f7109d6467ae8e6a8c187485afb7c55b6dcf2b2e7003a8edd271e7f7dfe275079fbb0d680455628c8fd2eb87640284e8a92ffe095fcb398133be587af57a
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DIST lammps-testing-827be7af84ca100d394ea1cf6d3bc49f6a8eef92.tar.gz 55706643 BLAKE2B 7f2753759e1048ee9af58f1b210fe42972cc40b6df3ab5495f66bcfd10f4818f6e2c4e27f759d6ca302024531849286c4709a869984bea3d385cb44412d4d668 SHA512 bfffb0501b7b254dfc2cfcd12945b14766c1addf680d1140a78116b97a2a70795244f3a5a439aaf69ae014e35c454a48e028ca8aa65179e5da5039d6f1676e02
|
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DIST lammps-testing-d0394a77fa2b4b2d545a73ea092cf6de7616aac8.tar.gz 55715042 BLAKE2B 326f0357b555c030f667c502fd2c2330aa588c4a1224434ef30637ad8c6be49a5b8ee58cbc525b874f665903cf21494b52403c3a53ec0898a8cf81906c614833 SHA512 4a980578ce584b5b9334b4177f4f9188f00ac50ca916ce63a4d2ef034a4fa218366a8f32cc7dc29dc99e6b01e40cf8c8bbf15566840fe07fc5c6c2e8c55ece93
|
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DIST lammps-testing-stable_3Mar2020.tar.gz 55729550 BLAKE2B d0de8efa83342b4a350f17a43d3fe96011534b3f410beb295e396a45200ea56298c14664b290b2e30ab4f2fd70b92c01c73927b2878e8171a166dedee8ecf379 SHA512 e3dc592ce57ae625eb66ddd9ca80d7bbaca57c47a07166a7196dcc3074b574a497e706da8baf93b5deacdf588702ceb141014533ac2aaccdd011836fb34943b9
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@@ -1,29 +0,0 @@
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From a10bb4b96f40f3b5574b0fade2cfece8bf4c6fc9 Mon Sep 17 00:00:00 2001
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From: Christoph Junghans <junghans@lanl.gov>
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Date: Thu, 23 Aug 2018 15:02:36 -0600
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Subject: [PATCH] cmake: fix link issue with --as-needed
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---
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cmake/CMakeLists.txt | 5 ++++-
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1 file changed, 4 insertions(+), 1 deletion(-)
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diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
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index 460d177c92..51997593db 100644
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--- a/CMakeLists.txt
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+++ b/CMakeLists.txt
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@@ -276,11 +276,14 @@ endif()
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if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE)
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find_package(LAPACK)
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- if(NOT LAPACK_FOUND)
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+ find_package(BLAS)
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+ if(NOT LAPACK_FOUND OR NOT BLAS_FOUND)
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enable_language(Fortran)
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file(GLOB LAPACK_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/linalg/*.[fF])
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add_library(linalg STATIC ${LAPACK_SOURCES})
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set(LAPACK_LIBRARIES linalg)
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+ else()
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+ list(APPEND LAPACK_LIBRARIES ${BLAS_LIBRARIES})
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endif()
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endif()
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@@ -1,132 +0,0 @@
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# Copyright 1999-2020 Gentoo Authors
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# Distributed under the terms of the GNU General Public License v2
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EAPI=6
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PYTHON_COMPAT=( python3_6 )
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inherit cmake-utils fortran-2 python-r1
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convert_month() {
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local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
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echo ${months[${1#0}]}
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}
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MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
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MY_P="${PN}-${MY_PV}"
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DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
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HOMEPAGE="https://lammps.sandia.gov/"
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SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
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LICENSE="GPL-2"
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SLOT="0"
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KEYWORDS="~amd64 ~x86"
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IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
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RESTRICT="!test? ( test )"
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DEPEND="
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app-arch/gzip
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media-libs/libpng:0
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sys-libs/zlib
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mpi? (
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virtual/mpi
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sci-libs/hdf5[mpi]
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)
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python? ( ${PYTHON_DEPS} )
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sci-libs/voro++
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virtual/blas
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virtual/lapack
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sci-libs/fftw:3.0
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netcdf? ( sci-libs/netcdf )
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cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
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dev-cpp/eigen:3
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"
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RDEPEND="${DEPEND}"
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REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
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S="${WORKDIR}/${MY_P}/cmake"
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src_configure() {
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local mycmakeargs=(
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-DBUILD_SHARED_LIBS=ON
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-DENABLE_MPI=$(usex mpi)
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-DENABLE_GPU=$(usex cuda)
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-DENABLE_TESTING=$(usex test)
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-DENABLE_ASPHERE=ON
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-DENABLE_BODY=ON
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-DENABLE_CLASS2=ON
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-DENABLE_COLLOID=ON
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-DENABLE_COMPRESS=ON
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-DENABLE_CORESHELL=ON
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-DENABLE_DIPOLE=ON
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-DENABLE_GRANULAR=ON
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-DENABLE_KSPACE=ON
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-DFFT=FFTW3
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-DENABLE_MANYBODY=ON
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-DENABLE_MC=ON
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-DENABLE_MEAM=ON
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-DENABLE_MISC=ON
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-DLAMMPS_XDR=ON #630444
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-DENABLE_MOLECULE=ON
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-DENABLE_PERI=ON
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-DENABLE_QEQ=ON
|
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-DENABLE_REAX=ON
|
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-DENABLE_REPLICA=ON
|
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-DENABLE_RIGID=ON
|
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-DENABLE_SHOCK=ON
|
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-DENABLE_SNAP=ON
|
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-DENABLE_SRD=ON
|
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-DENABLE_PYTHON=ON
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-DENABLE_MPIIO=$(usex mpi)
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-DENABLE_VORONOI=ON
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-DENABLE_USER-ATC=ON
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-DENABLE_USER-AWPMD=ON
|
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-DENABLE_USER-CGDNA=ON
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-DENABLE_USER-CGSDK=ON
|
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-DENABLE_USER-COLVARS=ON
|
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-DENABLE_USER-DIFFRACTION=ON
|
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-DENABLE_USER-DPD=ON
|
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-DENABLE_USER-DRUDE=ON
|
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-DENABLE_USER-EFF=ON
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-DENABLE_USER-FEP=ON
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-DENABLE_USER-H5MD=$(usex mpi)
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-DENABLE_USER-LB=$(usex mpi)
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-DENABLE_USER-MANIFOLD=ON
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-DENABLE_USER-MEAMC=ON
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-DENABLE_USER-MGPT=ON
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-DENABLE_USER-MISC=ON
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-DENABLE_USER-MOLFILE=ON
|
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-DENABLE_USER-NETCDF=$(usex netcdf)
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-DENABLE_USER-PHONON=ON
|
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-DENABLE_USER-QTB=ON
|
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-DENABLE_USER-REAXC=ON
|
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-DENABLE_USER-SMD=ON
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-DENABLE_USER-SMTBQ=ON
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-DENABLE_USER-SPH=ON
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-DENABLE_USER-TALLY=ON
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)
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cmake-utils_src_configure
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}
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src_install() {
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cmake-utils_src_install
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local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
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insinto "/${LAMMPS_POTENTIALS}"
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doins "${S}"/../potentials/*
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echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
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doenvd 99lammps
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# Install python script.
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use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
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if use examples; then
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for d in examples bench; do
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local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
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insinto "${LAMMPS_EXAMPLES}"
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doins -r "${S}"/../${d}/*
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done
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fi
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}
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@@ -1,132 +0,0 @@
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# Copyright 1999-2020 Gentoo Authors
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# Distributed under the terms of the GNU General Public License v2
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EAPI=6
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PYTHON_COMPAT=( python3_6 )
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inherit cmake-utils fortran-2 python-r1
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convert_month() {
|
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local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
|
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echo ${months[${1#0}]}
|
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}
|
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|
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MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
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MY_P="${PN}-${MY_PV}"
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DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
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HOMEPAGE="https://lammps.sandia.gov/"
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SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
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LICENSE="GPL-2"
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SLOT="0"
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KEYWORDS="~amd64 ~x86"
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IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
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RESTRICT="!test? ( test )"
|
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|
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DEPEND="
|
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app-arch/gzip
|
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media-libs/libpng:0
|
||||
sys-libs/zlib
|
||||
mpi? (
|
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virtual/mpi
|
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sci-libs/hdf5[mpi]
|
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)
|
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python? ( ${PYTHON_DEPS} )
|
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sci-libs/voro++
|
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virtual/blas
|
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virtual/lapack
|
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sci-libs/fftw:3.0
|
||||
netcdf? ( sci-libs/netcdf )
|
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cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
|
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dev-cpp/eigen:3
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"
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RDEPEND="${DEPEND}"
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REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
|
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S="${WORKDIR}/${MY_P}/cmake"
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|
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src_configure() {
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local mycmakeargs=(
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-DBUILD_SHARED_LIBS=ON
|
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-DENABLE_MPI=$(usex mpi)
|
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-DENABLE_GPU=$(usex cuda)
|
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-DENABLE_TESTING=$(usex test)
|
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-DENABLE_ASPHERE=ON
|
||||
-DENABLE_BODY=ON
|
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-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
|
||||
}
|
||||
@@ -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
|
||||
}
|
||||
@@ -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
|
||||
}
|
||||
@@ -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
|
||||
}
|
||||
@@ -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
|
||||
}
|
||||
@@ -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
|
||||
}
|
||||
@@ -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
|
||||
}
|
||||
@@ -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
|
||||
}
|
||||
Reference in New Issue
Block a user