diff --git a/science/py-gpaw/Makefile b/science/py-gpaw/Makefile index 747f226b4ea3..51abaddd3bb4 100644 --- a/science/py-gpaw/Makefile +++ b/science/py-gpaw/Makefile @@ -1,45 +1,42 @@ PORTNAME= gpaw -DISTVERSION= 22.1.0 -PORTREVISION= 6 +DISTVERSION= 24.6.0 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= DFT and beyond within the projector-augmented wave method in chemistry -WWW= https://wiki.fysik.dtu.dk/gpaw/ +WWW= https://wiki.fysik.dtu.dk/gpaw/ \ + https://gitlab.com/gpaw/gpaw LICENSE= GPLv3+ LICENSE_FILE= ${WRKSRC}/LICENSE BUILD_DEPENDS= ${PYNUMPY} LIB_DEPENDS= libblas.so:math/blas \ libmpich.so:net/mpich \ libopenblas.so:math/openblas \ libxc.so:science/libxc RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \ ${PYNUMPY} \ - ${PYTHON_PKGNAMEPREFIX}scipy>=0:science/py-scipy@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR} \ gpaw-setups>0:science/gpaw-setups USES= gettext-runtime localbase python shebangfix USE_PYTHON= distutils concurrent autoplist SHEBANG_FILES= tools/* LDFLAGS= -lmpi # otherwise: ImportError: /usr/local/lib/python3.8/site-packages/_gpaw.cpython-38.so: Undefined symbol "MPI_Comm_rank" -post-patch: - @${REINPLACE_CMD} "s|'/usr/local/|'${LOCALBASE}/|" ${WRKSRC}/gpaw/__init__.py - post-install: @${STRIP_CMD} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/_gpaw*.so -do-test: install +do-test: install # tests fail to run, see https://gitlab.com/gpaw/gpaw/-/issues/1273 @${ECHO} "== Performing a test calculation on one CPU ==" @gpaw test @${ECHO} "== Performing a test calculation on 8 CPUs ==" @gpaw -P 8 test .include diff --git a/science/py-gpaw/distinfo b/science/py-gpaw/distinfo index f2e375e3ef4c..ac047971ed43 100644 --- a/science/py-gpaw/distinfo +++ b/science/py-gpaw/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1642067411 -SHA256 (gpaw-22.1.0.tar.gz) = 2d2509e9e4b23205f5576ddfd1b0e9d9ac8cea1cf80ae1216af29513bd3cc42a -SIZE (gpaw-22.1.0.tar.gz) = 1625694 +TIMESTAMP = 1731548138 +SHA256 (gpaw-24.6.0.tar.gz) = fb48ef0db48c0e321ce5967126a47900bba20c7efb420d6e7b5459983bd8f6f6 +SIZE (gpaw-24.6.0.tar.gz) = 2000567 diff --git a/science/py-gpaw/files/patch-setup.py b/science/py-gpaw/files/patch-setup.py deleted file mode 100644 index 09638fa49406..000000000000 --- a/science/py-gpaw/files/patch-setup.py +++ /dev/null @@ -1,11 +0,0 @@ ---- setup.py.orig 2022-01-12 10:11:02 UTC -+++ setup.py -@@ -113,7 +113,7 @@ if compiler is not None: - from sysconfig import get_config_vars - - # If CC is set then the following hack will not work -- assert not os.environ.get('CC'), 'Please unset CC' -+ #assert not os.environ.get('CC'), 'Please unset CC' - - vars = get_config_vars() - for key in ['CC', 'LDSHARED']: