68 lines
2.7 KiB
Makefile
68 lines
2.7 KiB
Makefile
PORTNAME= openmolcas
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DISTVERSION= 22.06
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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= Quantum chemistry software package
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WWW= https://gitlab.com/Molcas/OpenMolcas
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LICENSE= LGPL21
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LICENSE_FILE= ${WRKSRC}/LICENSE
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BROKEN_armv7= build breaks: Symbol 'maxfilesize' at (1) has no IMPLICIT type; did you mean 'mxfile'? - see https://gitlab.com/Molcas/OpenMolcas/-/issues/375
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BROKEN_i386= build breaks: Symbol 'maxfilesize' at (1) has no IMPLICIT type; did you mean 'mxfile'? - see https://gitlab.com/Molcas/OpenMolcas/-/issues/375
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BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pyparsing>0:devel/py-pyparsing@${PY_FLAVOR} \
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chemps2:science/chemps2
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LIB_DEPENDS= libhdf5.so:science/hdf5 \
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libsz.so:science/libaec \
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libxc.so:science/libxc
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USES= cmake:testing fortran python shebangfix
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USE_GCC= yes # see https://gitlab.com/Molcas/OpenMolcas/-/issues/351
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USE_GITLAB= yes
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GL_ACCOUNT= Molcas
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GL_PROJECT= OpenMolcas
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GL_COMMIT= 17238da5c339c41ddf14ceb88f139d57143d7a14
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USE_GITHUB= nodefault
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GH_TUPLE= Reference-LAPACK:lapack:aa631b4b:lapack/External/lapack \
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ilyak:libefp:7d1ff5fd:libefp/External/efp \
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mcodev31:libmsym:0c47befe:libmsym/External/libmsym \
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libwfa:libwfa:bbe3392a:libwfa/External/libwfa
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SHEBANG_FILES= sbin/help_doc sbin/help_func sbin/help_basis sbin/setup sbin/verify sbin/version
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SHEBANG_GLOB= *.py
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CMAKE_ON= CHEMPS2 EFPLIB MSYM # TODO GEN1INT - package doesn't install itself, WFA - breaks due to https://gitlab.com/conradsnicta/armadillo-code/-/issues/216
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CMAKE_ARGS= -DEXTERNAL_LIBXC:STRING=${LOCALBASE} \
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-DFREEBSD_PYTHON_VER:STRING=${PYTHON_VER}
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CMAKE_OFF= BUILD_TESTING
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CMAKE_INSTALL_PREFIX= ${DATADIR} # installed into DATADIR because it doesn't respect UNIX file path conventions, see https://gitlab.com/Molcas/OpenMolcas/-/issues/352
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BINARY_ALIAS= cpp=${CPP} # cpp is called from cmake scripts
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BINARY_ALIAS+= python3=${PYTHON_CMD} # cpp is called from cmake scripts
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post-patch:
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# fix python path
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@${REINPLACE_CMD} -e "s|'/usr/bin/env python3'|'${PYTHON_CMD}'|" ${WRKSRC}/Tools/pymolcas/export.py
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post-install:
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# remove unused static libraries, see https://gitlab.com/Molcas/OpenMolcas/-/issues/354
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@${RM} -r ${STAGEDIR}${CMAKE_INSTALL_PREFIX}/lib
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# remove unnecessary fines
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@${RM} ${STAGEDIR}${CMAKE_INSTALL_PREFIX}/CONTRIBUTORS.md
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@${RM} ${STAGEDIR}${CMAKE_INSTALL_PREFIX}/LICENSE
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# remove empty include directory
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@${RMDIR} ${STAGEDIR}${DATADIR}/include
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# remove empty doc directory
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@${RMDIR} ${STAGEDIR}${DATADIR}/doc
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post-test: # A total of 5 test(s) failed, with 3 critical failure(s), see https://gitlab.com/Molcas/OpenMolcas/-/issues/369
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@cd ${BUILD_WRKSRC} && ${STAGEDIR}${DATADIR}/pymolcas verify
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.include <bsd.port.mk>
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