60 lines
1.6 KiB
Makefile
60 lines
1.6 KiB
Makefile
PORTNAME= mrchem
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DISTVERSIONPREFIX= v
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DISTVERSION= 1.1.4
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PORTREVISION= 1
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CATEGORIES= science # chemistry
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= MultiResolution Chemistry
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WWW= https://github.com/MRChemSoft/mrchem
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LICENSE= GPLv3
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LICENSE_FILE= ${WRKSRC}/LICENSE
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BUILD_DEPENDS= nlohmann-json>0:devel/nlohmann-json
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LIB_DEPENDS= libmrcpp.so:science/mrcpp \
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libxcfun.so:science/xcfun
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USES= cmake:testing compiler:c++14-lang eigen:3 shebangfix
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USE_GITHUB= yes
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GH_ACCOUNT= MRChemSoft
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SHEBANG_FILES= python/mrchem.in tests/*/test
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OPTIONS_DEFINE= ARCH_FLAGS PYTHON # the Python module also exists in the separate port science/py-mrchem, so it should be off by default here
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OPTIONS_SINGLE= MPI
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OPTIONS_SINGLE_MPI= NOMPI MPICH OPENMPI
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OPTIONS_DEFAULT= MPICH
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OPTIONS_SUB= yes
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ARCH_FLAGS_DESC= Enable architecture-specific compiler flags
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ARCH_FLAGS_CMAKE_BOOL= ENABLE_ARCH_FLAGS
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NOMPI_DESC= Build without parallel processing support
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MPICH_USES= mpi:mpich
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MPICH_CMAKE_ON= -DENABLE_MPI=ON
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OPENMPI_USES= mpi:openmpi
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OPENMPI_CMAKE_ON= -DENABLE_MPI=ON
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OPENMPI_BROKEN= fails to compile with OpenMPI, see https://github.com/MRChemSoft/mrchem/issues/438
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PYTHON_USES= python
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PYTHON_CMAKE_BOOL= BUILD_PYTHON
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PYTHON_CMAKE_ON= -DPython3_EXECUTABLE=${PYTHON_CMD} \
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-DPYMOD_INSTALL_LIBDIR=${PYTHON_SITELIBDIR:S;${PREFIX}/lib/;;}
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post-install-PYTHON-on:
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@${RMDIR} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/mrchem/input_parser/docs
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.include <bsd.port.options.mk>
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.if !${PORT_OPTIONS:MPYTHON}
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pre-test:
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@${ECHO} "tests require the port to be built with PYTHON=ON" && false
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.endif
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.include <bsd.port.mk>
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