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PORTNAME= pyscf
DISTVERSIONPREFIX= v
DISTVERSION= 2.4.0
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 <bsd.port.mk>
|
