diff options
Diffstat (limited to 'science/py-icet')
| -rw-r--r-- | science/py-icet/Makefile | 13 | ||||
| -rw-r--r-- | science/py-icet/distinfo | 6 | ||||
| -rw-r--r-- | science/py-icet/files/patch-pyproject.toml | 11 |
3 files changed, 21 insertions, 9 deletions
diff --git a/science/py-icet/Makefile b/science/py-icet/Makefile index 2a01864fa3b9..9797bd59dace 100644 --- a/science/py-icet/Makefile +++ b/science/py-icet/Makefile @@ -1,5 +1,5 @@ PORTNAME= icet -DISTVERSION= 3.1 +DISTVERSION= 3.2 CATEGORIES= science # chemistry, physics #MASTER_SITES= PYPI # no tests PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} @@ -16,10 +16,10 @@ BUILD_DEPENDS= ${PY_SETUPTOOLS} \ ${PYTHON_PKGNAMEPREFIX}pybind11>0:devel/py-pybind11@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR} RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}numba>0:devel/py-numba@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}numba>=0.55:devel/py-numba@${PY_FLAVOR} \ ${PYNUMPY} \ ${PYTHON_PKGNAMEPREFIX}pandas>=0.23:math/py-pandas@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}scipy>=1.0.0:science/py-scipy@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}spglib>=1.12.0:science/py-spglib@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}trainstation>=1.1:science/py-trainstation@${PY_FLAVOR} @@ -28,13 +28,16 @@ USE_PYTHON= pep517 autoplist pytest USE_GITLAB= yes GL_ACCOUNT= materials-modeling -GL_TAGNAME= 3.1 TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} +TEST_WRKSRC= ${WRKSRC}/tests post-install: @${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/_icet.cpython-311.so -# tests fail to run, see https://gitlab.com/materials-modeling/icet/-/issues/623 +pre-test: # this test causes the whole testsuite to hard-fail in the beginning for some reason + @${RM} -rf ${TEST_WRKSRC}/unittest/test_mchammer/test_site_occupancy_observer.py + +# tests as of 3.2: 33 failed, 794 passed, 5 warnings in 166.64s (0:02:46), see https://gitlab.com/materials-modeling/icet/-/issues/630 .include <bsd.port.mk> diff --git a/science/py-icet/distinfo b/science/py-icet/distinfo index 27b719b500bf..0480aa1107b7 100644 --- a/science/py-icet/distinfo +++ b/science/py-icet/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1758905344 -SHA256 (icet-3.1.tar.bz2) = b942fa3001fd53095cca9e19f4fdcea7c3716a69cf0bb2f4e735c8b997f1de5b -SIZE (icet-3.1.tar.bz2) = 3740838 +TIMESTAMP = 1761704195 +SHA256 (icet-3.2.tar.bz2) = aea80945c2a100f6fa8f14004f0d4f570843ba4450154fe2eb4896251917b70c +SIZE (icet-3.2.tar.bz2) = 3863159 diff --git a/science/py-icet/files/patch-pyproject.toml b/science/py-icet/files/patch-pyproject.toml index f1953b314896..17fb311bb81b 100644 --- a/science/py-icet/files/patch-pyproject.toml +++ b/science/py-icet/files/patch-pyproject.toml @@ -1,4 +1,4 @@ ---- pyproject.toml.orig 2025-09-28 03:59:57 UTC +--- pyproject.toml.orig 2025-10-26 21:34:57 UTC +++ pyproject.toml @@ -1,6 +1,6 @@ requires = [ [build-system] @@ -8,3 +8,12 @@ "wheel", "pybind11>=2.10", ] +@@ -25,8 +25,6 @@ maintainers = [ + maintainers = [ + {name = "The icet developer team"} + ] +-license = "MPL-2.0" +-license-files = ["LICENSE"] + readme = "README.rst" + requires-python = ">=3.9" + keywords = ["chemistry", "physics", "scientific"] |