diff --git a/science/py-pymatgen/Makefile b/science/py-pymatgen/Makefile index 33b459c57ce1..65015aab2e14 100644 --- a/science/py-pymatgen/Makefile +++ b/science/py-pymatgen/Makefile @@ -1,64 +1,66 @@ PORTNAME= pymatgen DISTVERSIONPREFIX= v -DISTVERSION= 2025.3.10 +DISTVERSION= 2025.5.28 CATEGORIES= science python #MASTER_SITES= PYPI # no tests PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= Python Materials Genomics is a robust materials analysis code WWW= https://pymatgen.org/ \ https://github.com/materialsproject/pymatgen LICENSE= MIT LICENSE_FILE= ${WRKSRC}/LICENSE BUILD_DEPENDS= ${PY_SETUPTOOLS} \ ${PYNUMPY} \ ${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR} -RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}beautifulsoup>0:www/py-beautifulsoup@${PY_FLAVOR} \ +RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}bibtexparser>=1.4.0:textproc/py-bibtexparser@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}joblib>=1:devel/py-joblib@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}matplotlib>=3.8:math/py-matplotlib@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}monty>=2025.1.9:devel/py-monty@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}networkx>=2.7:math/py-networkx@${PY_FLAVOR} \ ${PYNUMPY} \ + ${PYTHON_PKGNAMEPREFIX}orjson>=3.10:devel/py-orjson@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}palettable>=3.3.3:misc/py-palettable@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}pandas>=2:math/py-pandas@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}plotly>=4.5.0:graphics/py-plotly@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}plotly>=5.0.0:graphics/py-plotly@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}pybtex>=0.24.0:textproc/py-pybtex@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}requests>=2.32:www/py-requests@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}ruamel.yaml>=0.17.0:devel/py-ruamel.yaml@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}scipy>=1.13.0:science/py-scipy@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}spglib>=2.5.0:science/py-spglib@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}spglib>=2.5:science/py-spglib@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}sympy>=1.3:math/py-sympy@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}tabulate>=0.9:devel/py-tabulate@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}tqdm>=4.60:misc/py-tqdm@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}uncertainties>=3.1.4:math/py-uncertainties@${PY_FLAVOR} -RUN_DEPENDS+= ${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}icet>0:science/py-icet@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}openbabel>0:science/py-openbabel@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}phonopy>0:science/py-phonopy@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}seekpath>0:science/py-seekpath@${PY_FLAVOR} # optional dependencies +RUN_DEPENDS+= ${PYTHON_PKGNAMEPREFIX}ase>=3.23.0:science/py-ase@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}beautifulsoup>0:www/py-beautifulsoup@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}h5py>=3.11.0:science/py-h5py@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}phonopy>=2.33.3:science/py-phonopy@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}seekpath>=2.0.1:science/py-seekpath@${PY_FLAVOR} # optional dependencies TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pybtex>0:textproc/py-pybtex@${PY_FLAVOR} USES= compiler:c++11-lang python USE_PYTHON= pep517 cython concurrent autoplist pytest USE_GITHUB= yes GH_ACCOUNT= materialsproject TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} \ PMG_TEST_FILES_DIR=${WRKSRC}/tests/files \ DISPLAY=${DISPLAY} \ XAUTHORITY=${XAUTHORITY} TEST_WRKSRC= ${WRKSRC}/tests post-install: # strip binaries @cd ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/${PORTNAME} && ${STRIP_CMD} \ optimization/linear_assignment*.so \ optimization/neighbors*.so \ util/coord_cython*.so # tests as of 2025.2.18: 56 failed, 2912 passed, 149 skipped, 1980 warnings in 11080.55s (3:04:40), see https://github.com/materialsproject/pymatgen/issues/4264 +# tests as of 2025.5.28: 56 failed, 3015 passed, 161 skipped, 131 warnings, 7 errors in 5700.13s (1:35:00) .include diff --git a/science/py-pymatgen/distinfo b/science/py-pymatgen/distinfo index b86f67b1dd9f..0d9b3bdd4daa 100644 --- a/science/py-pymatgen/distinfo +++ b/science/py-pymatgen/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1741670459 -SHA256 (materialsproject-pymatgen-v2025.3.10_GH0.tar.gz) = e04c32df88d92c46a07bf23205cd36f33e1c8b760ccf7d6c975abc2b2f1db238 -SIZE (materialsproject-pymatgen-v2025.3.10_GH0.tar.gz) = 271898854 +TIMESTAMP = 1748630766 +SHA256 (materialsproject-pymatgen-v2025.5.28_GH0.tar.gz) = 4e5c6d9a679b96b160e146b1ebcb3014201dfc668d0981d58e494961b9a5cceb +SIZE (materialsproject-pymatgen-v2025.5.28_GH0.tar.gz) = 272197685