5564b3b420
The SO-version increased in the update to 1.12.2 in
a43418b815 .
Reported by: VVD <vvd@unislabs.com>
65 lines
2 KiB
Makefile
65 lines
2 KiB
Makefile
PORTNAME= votca
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DISTVERSIONPREFIX= v
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DISTVERSION= 2022
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PORTREVISION= 3
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CATEGORIES= science
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PATCH_SITES= https://github.com/${GH_ACCOUNT}/${PORTNAME}/commit/
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PATCHFILES= 078c6814797749cd1b92a2b19f0302265ccf6463.patch:-p1 # fix testsuite build
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= CSG and XTP: libraries for atomistic simulations
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LICENSE= APACHE20
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BROKEN_i386= undefined reference to `__atomic_load'
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PY_DEPENDS= ${PYTHON_PKGNAMEPREFIX}h5py>0:science/py-h5py@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}lxml>0:devel/py-lxml@${PY_FLAVOR} \
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rdkit>0:science/rdkit
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BUILD_DEPENDS= bash:shells/bash \
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lmp:science/lammps \
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${PY_DEPENDS}
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LIB_DEPENDS= libboost_program_options.so:devel/boost-libs \
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libecpint.so:science/libecpint \
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libexpat.so:textproc/expat2 \
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libfftw3.so:math/fftw3 \
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libgromacs_d.so:science/gromacs \
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libhdf5.so:science/hdf5 \
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libint2.so:science/libint2 \
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libsz.so:science/libaec \
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libxc.so:science/libxc
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RUN_DEPENDS= bash:shells/bash \
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${PYNUMPY} \
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${PY_DEPENDS}
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TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pytest>0:devel/py-pytest@${PY_FLAVOR}
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USES= cmake compiler:c++14-lang eigen:3 perl5 pkgconfig python:run \
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shebangfix
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USE_GITHUB= yes
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USE_LDCONFIG= yes
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SHEBANG_GLOB= *.sh *.pl *.py
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SHEBANG_FILES= csg/scripts/csg_call.in csg/scripts/csg_inverse.in \
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tools/scripts/votca_compare.in tools/scripts/votca_help2doc.in \
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xtp/scripts/xtp_update_mapfile.in xtp/scripts/xtp_basisset.in xtp/share/benchmark/xtp_benchmark.in xtp/scripts/xtp_autogen_mapping.in \
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xtp/scripts/xtp_modify_jobfile.in \
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xtp/scripts/xtp_qmmm2qm.in
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CMAKE_ON= BUILD_XTP
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CMAKE_ARGS= -DLOCALBASE=${LOCALBASE} -DPython_EXECUTABLE=${PYTHON_CMD}
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OPTIONS_DEFINE= APPS
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OPTIONS_DEFAULT= APPS
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OPTIONS_SUB= yes
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APPS_DESC= Build applications
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APPS_CMAKE_BOOL= BUILD_CSGAPPS
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do-test:
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@cd ${BUILD_WRKSRC} && \
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${SETENV} ${CONFIGURE_ENV} ${CMAKE_BIN} ${CMAKE_ARGS} -DENABLE_TESTING:BOOL=ON ${CMAKE_SOURCE_PATH} && \
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${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} ${ALL_TARGET} && \
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${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} test
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.include <bsd.port.mk>
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