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