diff --git a/science/py-pyscf/Makefile b/science/py-pyscf/Makefile index eeeaf1421b7c..15b617347fe5 100644 --- a/science/py-pyscf/Makefile +++ b/science/py-pyscf/Makefile @@ -1,44 +1,43 @@ PORTNAME= pyscf DISTVERSIONPREFIX= v -DISTVERSION= 2.1.0 -PORTREVISION= 2 +DISTVERSION= 2.1.1 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} \ 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 +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}${PYTHONPREFIX_SITELIBDIR} post-install: @${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 diff --git a/science/py-pyscf/distinfo b/science/py-pyscf/distinfo index 567ada652865..5bff06f258b2 100644 --- a/science/py-pyscf/distinfo +++ b/science/py-pyscf/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1662267235 -SHA256 (pyscf-pyscf-v2.1.0_GH0.tar.gz) = 820da1564047de3097ec2f964a4c2168535a8048c084f211b8db1feb0c1665af -SIZE (pyscf-pyscf-v2.1.0_GH0.tar.gz) = 10896918 +TIMESTAMP = 1670658450 +SHA256 (pyscf-pyscf-v2.1.1_GH0.tar.gz) = 814240aa73f57ba96aee8264e3914c09f96ebdce1e42784da4b5e9a474ecb280 +SIZE (pyscf-pyscf-v2.1.1_GH0.tar.gz) = 10896271 diff --git a/science/py-pyscf/files/patch-pyscf_lib_gto_ft__ao.c b/science/py-pyscf/files/patch-pyscf_lib_gto_ft__ao.c new file mode 100644 index 000000000000..1d2f9c022ac4 --- /dev/null +++ b/science/py-pyscf/files/patch-pyscf_lib_gto_ft__ao.c @@ -0,0 +1,13 @@ +- wprkaropund for compilation failure on armv7 +- #include for int8_t, see https://github.com/pyscf/pyscf/issues/1535 + +--- pyscf/lib/gto/ft_ao.c.orig 2022-12-10 07:40:03 UTC ++++ pyscf/lib/gto/ft_ao.c +@@ -44,6 +44,7 @@ + + #include + #include ++#include + #include + #include + #include