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science/py-pymatgen: update 2025.1.23 → 2025.1.24; Add optional dependencies; Update test results

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This commit is contained in:
Yuri Victorovich 2025-01-24 20:05:46 -08:00
parent 0b7755f455
commit fa054baa68
2 changed files with 14 additions and 17 deletions
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25
science/py-pymatgen/Makefile
View file

@ -1,6 +1,6 @@
PORTNAME= pymatgen
DISTVERSIONPREFIX= v
DISTVERSION= 2025.1.23
DISTVERSION= 2025.1.24
CATEGORIES= science python
#MASTER_SITES= PYPI # no tests
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
@ -33,6 +33,11 @@ RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}beautifulsoup>0:www/py-beautifulsoup@${PY_FL
${PYTHON_PKGNAMEPREFIX}tabulate>=0.9:devel/py-tabulate@${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
TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pybtex>0:textproc/py-pybtex@${PY_FLAVOR}
USES= compiler:c++11-lang python
@ -53,19 +58,11 @@ post-install: # strip binaries
optimization/neighbors*.so \
util/coord_cython*.so
#tests as of 2025.1.23:
# Results (4206.00s (1:10:05)):
# 2743 passed
# 9 failed
# - tests/analysis/test_chempot_diagram.py:71 TestChemicalPotentialDiagram.test_pca
# - tests/cli/test_pmg_analyze.py:13 test_pmg_analyze
# - tests/cli/test_pmg_diff.py:12 test_pmg_diff
# - tests/cli/test_pmg_plot.py:15 test_plot_xrd
# - tests/cli/test_pmg_plot.py:31 test_plot_dos
# - tests/cli/test_pmg_plot.py:47 test_plot_chgint
# - tests/cli/test_pmg_plot.py:63 test_plot_wrong_arg
# - tests/cli/test_pmg_structure.py:13 test_pmg_structure
# - tests/core/test_structure.py:1770 TestStructure.test_charge
# tests as of 2025.1.23: see https://github.com/materialsproject/pymatgen/issues/4264
# Results (4376.26s (1:12:56)):
# 2814 passed
# 36 failed
# 194 skipped
# 141 skipped
.include <bsd.port.mk>

6
science/py-pymatgen/distinfo
View file

@ -1,3 +1,3 @@
TIMESTAMP = 1737700626
SHA256 (materialsproject-pymatgen-v2025.1.23_GH0.tar.gz) = 68eafa7d148119a3aa739fd514f9f9cecfb03b316e41f29d3f87a84bb4872670
SIZE (materialsproject-pymatgen-v2025.1.23_GH0.tar.gz) = 262615770
TIMESTAMP = 1737778469
SHA256 (materialsproject-pymatgen-v2025.1.24_GH0.tar.gz) = 4b53c755e8359f2b6400eb7050a9aa2b1cadd611345cd9ab16ab25a5164fe804
SIZE (materialsproject-pymatgen-v2025.1.24_GH0.tar.gz) = 263279211