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science/py-gpaw: update 22.1.0 → 24.6.0

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This commit is contained in:
Yuri Victorovich 2024-11-13 18:34:58 -08:00
parent 2a072b8f98
commit 424ad1cc02
3 changed files with 8 additions and 22 deletions
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13
science/py-gpaw/Makefile
View file

@ -1,13 +1,13 @@
PORTNAME= gpaw PORTNAME= gpaw
DISTVERSION= 22.1.0 DISTVERSION= 24.6.0
PORTREVISION= 6
CATEGORIES= science python CATEGORIES= science python
MASTER_SITES= PYPI MASTER_SITES= PYPI
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
MAINTAINER= yuri@FreeBSD.org MAINTAINER= yuri@FreeBSD.org
COMMENT= DFT and beyond within the projector-augmented wave method in chemistry 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= GPLv3+
LICENSE_FILE= ${WRKSRC}/LICENSE LICENSE_FILE= ${WRKSRC}/LICENSE
@ -20,7 +20,7 @@ LIB_DEPENDS= libblas.so:math/blas \
RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR} \ RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \
${PYNUMPY} \ ${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 gpaw-setups>0:science/gpaw-setups
USES= gettext-runtime localbase python shebangfix USES= gettext-runtime localbase python shebangfix
@ -30,13 +30,10 @@ SHEBANG_FILES= tools/*
LDFLAGS= -lmpi # otherwise: ImportError: /usr/local/lib/python3.8/site-packages/_gpaw.cpython-38.so: Undefined symbol "MPI_Comm_rank" 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}/|" ${WRKSRC}/gpaw/__init__.py
post-install: post-install:
@${STRIP_CMD} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/_gpaw*.so @${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
@${ECHO} "== Performing a test calculation on one CPU ==" @${ECHO} "== Performing a test calculation on one CPU =="
@gpaw test @gpaw test
@${ECHO} "== Performing a test calculation on 8 CPUs ==" @${ECHO} "== Performing a test calculation on 8 CPUs =="

6
science/py-gpaw/distinfo
View file

@ -1,3 +1,3 @@
TIMESTAMP = 1642067411 TIMESTAMP = 1731548138
SHA256 (gpaw-22.1.0.tar.gz) = 2d2509e9e4b23205f5576ddfd1b0e9d9ac8cea1cf80ae1216af29513bd3cc42a SHA256 (gpaw-24.6.0.tar.gz) = fb48ef0db48c0e321ce5967126a47900bba20c7efb420d6e7b5459983bd8f6f6
SIZE (gpaw-22.1.0.tar.gz) = 1625694 SIZE (gpaw-24.6.0.tar.gz) = 2000567

11
science/py-gpaw/files/patch-setup.py
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@ -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']: