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commit: 16bfde13bae2672faa61b818d4b951024d738f1e |
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Author: Christoph Junghans <junghans <AT> gentoo <DOT> org> |
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AuthorDate: Thu Aug 15 22:06:07 2019 +0000 |
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Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org> |
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CommitDate: Thu Aug 15 22:06:44 2019 +0000 |
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URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=16bfde13 |
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|
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sci-physics/lammps: version bump |
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|
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Package-Manager: Portage-2.3.69, Repoman-2.3.16 |
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Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org> |
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|
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sci-physics/lammps/Manifest | 2 + |
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sci-physics/lammps/lammps-20190807.ebuild | 130 ++++++++++++++++++++++++++++++ |
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2 files changed, 132 insertions(+) |
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|
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diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest |
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index 58298d54c4c..0fdb91cca31 100644 |
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--- a/sci-physics/lammps/Manifest |
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+++ b/sci-physics/lammps/Manifest |
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@@ -25,6 +25,8 @@ DIST lammps-patch_1Sep2017.tar.gz 88751184 BLAKE2B 013ba612c67767c0e11b64f0b726a |
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DIST lammps-patch_22Aug2018.tar.gz 108761265 BLAKE2B fc509ccd8f5fda9fea9cf7f54b888df235b5d499a0aa3eee24bba81d35c95355cfc72ebb60f32a4adb879c0ab176659ebe634f9bbaeefd54ffc0d02329054f9f SHA512 bb1c11ef9c287b101b9f3483d6b90e55dc69a048529e5076f6f7d46e54802d0d75efc899865d462f9dd76937089e1080a126c1dc4bbb2648eda91cb38ba142b0 |
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DIST lammps-patch_22Feb2018.tar.gz 91869050 BLAKE2B 09d364b489d4402145b879ca40b290a4e33f39b6e5e4183bcccb09001002cb742917c8792f942a8b64bd992cde5c0f8dcd8b76506048f1392d33d1192aa4551d SHA512 8d4ac0f9cdcf4caa10bfb48129eec21cf31f7ce881b4cbd803c20fb638f7e55a1e645d314e172fe70eab473a4976c7f482e8c059e0c4e82527eb9438437ae146 |
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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-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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|
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diff --git a/sci-physics/lammps/lammps-20190807.ebuild b/sci-physics/lammps/lammps-20190807.ebuild |
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new file mode 100644 |
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index 00000000000..b51ab042a35 |
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--- /dev/null |
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+++ b/sci-physics/lammps/lammps-20190807.ebuild |
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@@ -0,0 +1,130 @@ |
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+# Copyright 1999-2019 Gentoo Authors |
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+# Distributed under the terms of the GNU General Public License v2 |
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+ |
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+EAPI=6 |
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+ |
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+PYTHON_COMPAT=( python{2_7,3_5,3_6} ) |
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+ |
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+inherit cmake-utils fortran-2 python-r1 |
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+ |
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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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+ |
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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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+TCOMMIT=d0394a77fa2b4b2d545a73ea092cf6de7616aac8 |
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+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz |
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+ test? ( https://github.com/lammps/lammps-testing/archive/${TCOMMIT}.tar.gz -> ${PN}-testing-${TCOMMIT}.tar.gz )" |
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+ |
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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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+ |
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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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+ |
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+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" |
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+ |
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+S="${WORKDIR}/${MY_P}/cmake" |
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+ |
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+src_configure() { |
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+ local mycmakeargs=( |
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+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc" |
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+ -DBUILD_SHARED_LIBS=ON |
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+ -DBUILD_MPI=$(usex mpi) |
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+ -DBUILD_LIB=ON |
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+ -DPKG_GPU=$(usex cuda) |
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+ -DGPU_API=CUDA |
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+ -DENABLE_TESTING=$(usex test) |
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+ -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*) |
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+ -DPKG_ASPHERE=ON |
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+ -DPKG_BODY=ON |
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+ -DPKG_CLASS2=ON |
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+ -DPKG_COLLOID=ON |
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+ -DPKG_COMPRESS=ON |
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+ -DPKG_CORESHELL=ON |
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+ -DPKG_DIPOLE=ON |
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+ -DPKG_GRANULAR=ON |
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+ -DPKG_KSPACE=ON |
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+ -DFFT=FFTW3 |
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+ -DPKG_MANYBODY=ON |
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+ -DPKG_MC=ON |
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+ -DPKG_MEAM=ON |
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+ -DPKG_MISC=ON |
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+ -DPKG_MOLECULE=ON |
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+ -DPKG_PERI=ON |
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+ -DPKG_QEQ=ON |
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+ -DPKG_REAX=ON |
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+ -DPKG_REPLICA=ON |
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+ -DPKG_RIGID=ON |
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+ -DPKG_SHOCK=ON |
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+ -DPKG_SNAP=ON |
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+ -DPKG_SRD=ON |
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+ -DPKG_PYTHON=ON |
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+ -DPKG_MPIIO=$(usex mpi) |
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+ -DPKG_VORONOI=ON |
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+ -DPKG_USER-ATC=ON |
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+ -DPKG_USER-AWPMD=ON |
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+ -DPKG_USER-CGDNA=ON |
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+ -DPKG_USER-CGSDK=ON |
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+ -DPKG_USER-COLVARS=ON |
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+ -DPKG_USER-DIFFRACTION=ON |
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+ -DPKG_USER-DPD=ON |
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+ -DPKG_USER-DRUDE=ON |
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+ -DPKG_USER-EFF=ON |
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+ -DPKG_USER-FEP=ON |
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+ -DPKG_USER-H5MD=$(usex mpi) |
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+ -DPKG_USER-LB=$(usex mpi) |
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+ -DPKG_USER-MANIFOLD=ON |
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+ -DPKG_USER-MEAMC=ON |
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+ -DPKG_USER-MGPT=ON |
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+ -DPKG_USER-MISC=ON |
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+ -DPKG_USER-MOLFILE=ON |
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+ -DPKG_USER-NETCDF=$(usex netcdf) |
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+ -DPKG_USER-PHONON=ON |
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+ -DPKG_USER-QTB=ON |
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+ -DPKG_USER-REAXC=ON |
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+ -DPKG_USER-SMD=ON |
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+ -DPKG_USER-SMTBQ=ON |
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+ -DPKG_USER-SPH=ON |
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+ -DPKG_USER-TALLY=ON |
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+ ) |
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+ cmake-utils_src_configure |
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+} |
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+ |
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+src_install() { |
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+ cmake-utils_src_install |
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+ |
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+ # Install python script. |
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+ use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py |
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+ |
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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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