diff --git a/science/py-pyscf/Makefile b/science/py-pyscf/Makefile index 993559e4aacb..117bac5d3c99 100644 --- a/science/py-pyscf/Makefile +++ b/science/py-pyscf/Makefile @@ -1,46 +1,49 @@ PORTNAME= pyscf DISTVERSIONPREFIX= v -DISTVERSION= 2.7.0 +DISTVERSION= 2.8.0 CATEGORIES= science python PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= Python module for quantum chemistry -WWW= https://pyscf.org/ +WWW= https://pyscf.org/ \ + https://github.com/pyscf/pyscf 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_PYTHON= distutils autoplist pytest 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 +# tests fail to run: https://github.com/pyscf/pyscf/issues/2601 + .include diff --git a/science/py-pyscf/distinfo b/science/py-pyscf/distinfo index a66806ab276b..651ba426e84e 100644 --- a/science/py-pyscf/distinfo +++ b/science/py-pyscf/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1727412239 -SHA256 (pyscf-pyscf-v2.7.0_GH0.tar.gz) = f2f94e6dae8556085bb765eb5250f61589e977b4f12540c748241101d40da241 -SIZE (pyscf-pyscf-v2.7.0_GH0.tar.gz) = 11376241 +TIMESTAMP = 1736575693 +SHA256 (pyscf-pyscf-v2.8.0_GH0.tar.gz) = f53ea72b25f64cc7a3345b6f1b6e3a30c1cbf550252324731a2192dafe891149 +SIZE (pyscf-pyscf-v2.8.0_GH0.tar.gz) = 11349673