diff options
Diffstat (limited to '')
| -rw-r--r-- | science/py-ase/Makefile | 12 | ||||
| -rw-r--r-- | science/py-ase/distinfo | 6 | ||||
| -rw-r--r-- | science/py-ase/files/patch-pyproject.toml | 11 |
3 files changed, 21 insertions, 8 deletions
diff --git a/science/py-ase/Makefile b/science/py-ase/Makefile index 5ac43a3541ee..f3e0a8056fdc 100644 --- a/science/py-ase/Makefile +++ b/science/py-ase/Makefile @@ -1,21 +1,21 @@ PORTNAME= ase -DISTVERSION= 3.23.0 -PORTREVISION= 1 +DISTVERSION= 3.26.0 CATEGORIES= science python # chemistry MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= Atomic simulation environment -WWW= https://wiki.fysik.dtu.dk/ase/ +WWW= https://ase-lib.org/ \ + https://gitlab.com/ase/ase LICENSE= LGPL21 LICENSE_FILE= ${WRKSRC}/COPYING.LESSER RUN_DEPENDS= ${PYNUMPY} \ ${PYTHON_PKGNAMEPREFIX}matplotlib>=3.1.0:math/py-matplotlib@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}scipy>=1.1.0:science/py-scipy@${PY_FLAVOR} \ - nwchem:science/nwchem + ${PYTHON_PKGNAMEPREFIX}scipy>=1.1.0:science/py-scipy@${PY_FLAVOR} +# nwchem:science/nwchem TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pytest-mock>0:devel/py-pytest-mock@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}pytest-xdist>=1.30.0:devel/py-pytest-xdist@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}asap3>0:science/py-asap3@${PY_FLAVOR} \ @@ -29,4 +29,6 @@ USE_PYTHON= distutils concurrent autoplist pytest NO_ARCH= yes +# tests as of 3.26.0: 25 failed, 3036 passed, 538 skipped, 5 xfailed, 49 warnings, 10 errors in 2377.98s (0:39:37), see https://gitlab.com/ase/ase/-/issues/1746, https://gitlab.com/ase/ase/-/issues/1747 + .include <bsd.port.mk> diff --git a/science/py-ase/distinfo b/science/py-ase/distinfo index 856920eb9664..eb2ad2c0fbb6 100644 --- a/science/py-ase/distinfo +++ b/science/py-ase/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1720836089 -SHA256 (ase-3.23.0.tar.gz) = 91a2aa31d89bd90b0efdfe4a7e84264f32828b2abfc9f38e65e041ad76fec8ae -SIZE (ase-3.23.0.tar.gz) = 2336462 +TIMESTAMP = 1757118068 +SHA256 (ase-3.26.0.tar.gz) = a071a355775b0a8062d23e9266e9d811b19d9f6d9ec5215e8032f7d93dc65075 +SIZE (ase-3.26.0.tar.gz) = 2405567 diff --git a/science/py-ase/files/patch-pyproject.toml b/science/py-ase/files/patch-pyproject.toml new file mode 100644 index 000000000000..f1ffc89d09c4 --- /dev/null +++ b/science/py-ase/files/patch-pyproject.toml @@ -0,0 +1,11 @@ +--- pyproject.toml.orig 2025-09-06 00:22:04 UTC ++++ pyproject.toml +@@ -7,8 +7,6 @@ readme = 'README.rst' + description='Atomic Simulation Environment' + dynamic = ['version'] + readme = 'README.rst' +-license = 'LGPL-2.1-or-later' +-license-files = ['LICENSE'] + maintainers = [{ name = 'ASE Community', email = 'ase-users@listserv.fysik.dtu.dk' }] + classifiers = [ + 'Development Status :: 6 - Mature', |