PORTNAME= pyscf DISTVERSIONPREFIX= v DISTVERSION= 2.7.0 CATEGORIES= science python PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= Python module for quantum chemistry WWW= https://pyscf.org/ LICENSE= BSD2CLAUSE LICENSE_FILE= ${WRKSRC}/LICENSE PY_DEPENDS= ${PYNUMPY} \ ${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}h5py>=2.7:science/py-h5py@${PY_FLAVOR} BUILD_DEPENDS= ${PY_DEPENDS} \ ${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR} \ cmake:devel/cmake-core \ gmake:devel/gmake LIB_DEPENDS= libcint.so:science/libcint \ libxc.so:science/libxc \ libxcfun.so:science/xcfun RUN_DEPENDS= ${PY_DEPENDS} USES= fortran blaslapack:openblas compiler:c++11-lang python USE_PYTHON= distutils autoplist pytest # 3818 warnings, 57 errors in tests, see https://github.com/pyscf/pyscf/issues/1536 USE_GITHUB= yes POST_PLIST= fix-plist TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} TEST_WRKSRC= ${WRKSRC}/pyscf TEST_ARGS= -c ${WRKSRC}/setup.cfg post-install: @${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/pyscf/lib/lib*.so fix-plist: @${REINPLACE_CMD} -e 's|.*pyscf_lib_placeholder.so$$||' ${TMPPLIST} post-test: @${ECHO} "==> simple test ..." @${SETENV} ${TEST_ENV} ${PYTHON_CMD} ${FILESDIR}/test.py .include