git: fa054baa68fc - main - =?utf-8?Q?science/py-pymatgen: update 2025.1.23 =E2=86=92 2025.1.24; Add optional d=Q?science/py-pymatgen: update 2025.1.23 =E2=86=92 2025.1.24; Add optional d=

ependencies; Update test results?=
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X-Git-Committer: yuri
X-Git-Repository: ports
X-Git-Refname: refs/heads/main
X-Git-Reftype: branch
X-Git-Commit: fa054baa68fc953ae3bff4572b448d08f5f30390
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The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=fa054baa68fc953ae3bff4572b448d08f5f30390

commit fa054baa68fc953ae3bff4572b448d08f5f30390
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2025-01-25 04:05:46 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2025-01-25 05:50:41 +0000

    science/py-pymatgen: update 2025.1.23 → 2025.1.24; Add optional dependencies; Update test results
---
 science/py-pymatgen/Makefile | 25 +++++++++++--------------
 science/py-pymatgen/distinfo |  6 +++---
 2 files changed, 14 insertions(+), 17 deletions(-)

diff --git a/science/py-pymatgen/Makefile b/science/py-pymatgen/Makefile
index b17cdd97b6bc..5719a1d7cde1 100644
--- a/science/py-pymatgen/Makefile
+++ b/science/py-pymatgen/Makefile
@@ -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>
diff --git a/science/py-pymatgen/distinfo b/science/py-pymatgen/distinfo
index 8cf9be075657..d6168fc6f91b 100644
--- a/science/py-pymatgen/distinfo
+++ b/science/py-pymatgen/distinfo
@@ -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