mirror of
https://git.FreeBSD.org/ports.git
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41 lines
1.2 KiB
Makefile
41 lines
1.2 KiB
Makefile
PORTNAME= libcint
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DISTVERSIONPREFIX= v
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DISTVERSION= 4.4.6
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CATEGORIES= science
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= General GTO integrals for quantum chemistry
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LICENSE= BSD2CLAUSE
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LICENSE_FILE= ${WRKSRC}/LICENSE
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LIB_DEPENDS= libopenblas.so:math/openblas
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TEST_DEPENDS= ${PYNUMPY} \
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${PYTHON_PKGNAMEPREFIX}pyscf>0:science/py-pyscf@${PY_FLAVOR}
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USES= cmake blaslapack:openblas python:test
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USE_LDCONFIG= yes
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USE_GITHUB= yes
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GH_ACCOUNT= sunqm
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PLIST_FILES= include/cint.h \
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include/cint_funcs.h \
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lib/libcint.so \
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lib/libcint.so.${PORTVERSION:R:R} \
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lib/libcint.so.${PORTVERSION}
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post-patch:
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@${REINPLACE_CMD} -e "s|numpy\\.ctypeslib\\.load_library('libcint', .*$$|numpy.ctypeslib.load_library('libcint', '${BUILD_WRKSRC}')|" \
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${WRKSRC}/testsuite/test_cint4c1e.py \
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${WRKSRC}/testsuite/test_cint.py \
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${WRKSRC}/testsuite/test_3c2e.py
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do-test: # needs science/py-pyscf, pending https://github.com/pyscf/pyscf/issues/935
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@cd ${BUILD_WRKSRC} && \
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${SETENV} ${CONFIGURE_ENV} ${CMAKE_BIN} ${CMAKE_ARGS} -DENABLE_TEST: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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