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PORTNAME= pyscf
DISTVERSIONPREFIX= v
DISTVERSION= 2.0.1
PORTREVISION= 1
CATEGORIES= science python
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
PATCH_SITES= https://github.com/${GH_ACCOUNT}/${GH_PROJECT}/commit/
PATCHFILES= 6fece0e44feef43dcb879f3c2e6a2d84a26d518f.patch:-p1 # https://github.com/pyscf/pyscf/pull/1145: Update to libcint v5.0
MAINTAINER= yuri@FreeBSD.org
COMMENT= Python module for quantum chemistry
LICENSE= BSD2CLAUSE
LICENSE_FILE= ${WRKSRC}/LICENSE
PY_DEPENDS= ${PYNUMPY} \
${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}h5py>0:science/py-h5py@${PY_FLAVOR}
BUILD_DEPENDS= ${PY_DEPENDS} \
cmake:devel/cmake \
gmake:devel/gmake
LIB_DEPENDS= libcint.so:science/libcint \
libxc.so:science/libxc \
libxcfun.so:science/xcfun
RUN_DEPENDS= ${PY_DEPENDS}
USES= fortran blaslapack:openblas compiler:c++11-lang python
USE_PYTHON= distutils autoplist
USE_GITHUB= yes
POST_PLIST= fix-plist
post-install:
@${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/pyscf/lib/lib*.so
fix-plist:
@${REINPLACE_CMD} -e 's|.*pyscf_lib_placeholder.so$$||' ${TMPPLIST}
do-test: install
@${PYTHON_CMD} ${FILESDIR}/test.py
.include <bsd.port.mk>
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