Date: Tue, 19 May 2026 17:46:40 +0000 From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: e6ed48a01295 - main - science/py-pymatgen-core: update 2026.4.=?utf-8?Q?16 =E2=86=92 2?=026.5.18 Message-ID: <6a0ca200.23326.96509cc@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=e6ed48a012955b46fed8c28204410262171d95e6 commit e6ed48a012955b46fed8c28204410262171d95e6 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2026-05-19 17:44:32 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2026-05-19 17:46:17 +0000 science/py-pymatgen-core: update 2026.4.16 → 2026.5.18 --- science/py-pymatgen-core/Makefile | 32 +++++++--------------- science/py-pymatgen-core/distinfo | 6 ++-- .../py-pymatgen-core/files/patch-pyproject.toml | 28 +++++++++++-------- .../files/patch-src_pymatgen_core_structure.py | 4 +-- 4 files changed, 31 insertions(+), 39 deletions(-) diff --git a/science/py-pymatgen-core/Makefile b/science/py-pymatgen-core/Makefile index 815b9a0c6e7c..bd031570a073 100644 --- a/science/py-pymatgen-core/Makefile +++ b/science/py-pymatgen-core/Makefile @@ -1,7 +1,6 @@ PORTNAME= pymatgen-core DISTVERSIONPREFIX= v -DISTVERSION= 2026.4.16 -PORTREVISION= 1 +DISTVERSION= 2026.5.18 CATEGORIES= science python PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} @@ -17,33 +16,22 @@ BUILD_DEPENDS= ${PY_SETUPTOOLS} \ ${PYTHON_PKGNAMEPREFIX}numpy>0:math/py-numpy@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR} RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}bibtexparser>=1.4.3:textproc/py-bibtexparser@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}contourpy>=1.3.1:math/py-contourpy@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}cycler>=0.12.1:devel/py-cycler@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}fonttools>=4.61.0:print/py-fonttools@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}joblib>=1.3.2:devel/py-joblib@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}kiwisolver>=1.4.7:math/py-kiwisolver@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}lxml>=4.9:devel/py-lxml@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}lxml>=6.1.0:devel/py-lxml@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}matplotlib>=3.8:math/py-matplotlib@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}monty>=2026.2.18:devel/py-monty@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}mpmath>=1.3.0:math/py-mpmath@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}monty>=2026.5.18:devel/py-monty@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}networkx>=2.7:math/py-networkx@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}numpy>0:math/py-numpy@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}orjson>=3.10.18:devel/py-orjson@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}packaging>=24.2:devel/py-packaging@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}numpy>=1.25.0:math/py-numpy@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}orjson>=3.10:devel/py-orjson@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}palettable>=3.3.3:misc/py-palettable@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}pandas>=2.2.3:math/py-pandas@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}pillow>=9.0.0:graphics/py-pillow@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}plotly>=5:graphics/py-plotly@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}pyparsing>=3.2.0:devel/py-pyparsing@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}python-dateutil>=2.9.0:devel/py-python-dateutil@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}pytz>=2024.2:devel/py-pytz@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}pandas>=2:math/py-pandas@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}plotly>=6.0:graphics/py-plotly@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}requests>=2.32.5:www/py-requests@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}scipy>=1.14.1:science/py-scipy@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}six>=1.16.0:devel/py-six@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}scipy>=1.13.0:science/py-scipy@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}spglib>=2.5.0:science/py-spglib@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}sympy>=1.3:math/py-sympy@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}tabulate>=0.9.0:devel/py-tabulate@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}tqdm>=4.67.1:misc/py-tqdm@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}tqdm>=4.67.3:misc/py-tqdm@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}uncertainties>=3.1:math/py-uncertainties@${PY_FLAVOR} USES= compiler:c++11-lang python @@ -57,6 +45,6 @@ TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} \ PMG_TEST_FILES_DIR=${WRKSRC}/test-files \ MPLBACKEND=Agg -# tests as of 2026.4.16: 2557 passed, 116 skipped, 5 xfailed, 1 xpassed, 53 warnings in 330.65s (0:05:30) +# tests as of 2026.5.18: not run .include <bsd.port.mk> diff --git a/science/py-pymatgen-core/distinfo b/science/py-pymatgen-core/distinfo index d60548e4cdf2..515ad1756626 100644 --- a/science/py-pymatgen-core/distinfo +++ b/science/py-pymatgen-core/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1776629591 -SHA256 (materialsproject-pymatgen-core-v2026.4.16_GH0.tar.gz) = 25cf7dc091c68207c052365bd4218da6bd77ffb6b9b2c5e2539ceceb2b68fb21 -SIZE (materialsproject-pymatgen-core-v2026.4.16_GH0.tar.gz) = 232470453 +TIMESTAMP = 1779172841 +SHA256 (materialsproject-pymatgen-core-v2026.5.18_GH0.tar.gz) = 17f45b5584187b0b5510f3a893d451467cfc3e7c07b1923aa2f6ef6c68124430 +SIZE (materialsproject-pymatgen-core-v2026.5.18_GH0.tar.gz) = 236919715 diff --git a/science/py-pymatgen-core/files/patch-pyproject.toml b/science/py-pymatgen-core/files/patch-pyproject.toml index a9b320cf89f1..dcd20e005160 100644 --- a/science/py-pymatgen-core/files/patch-pyproject.toml +++ b/science/py-pymatgen-core/files/patch-pyproject.toml @@ -1,4 +1,9 @@ ---- pyproject.toml.orig 2026-04-16 01:03:44 UTC +-- Remove build-time version pins for numpy and setuptools that are too new +-- for the versions available in FreeBSD ports. +-- Fix version to match the release tag (upstream bug: tag is v2026.5.18 but +-- version in pyproject.toml is 2026.5.17). +-- Remove the pmg CLI entry point which requires pymatgen (not just pymatgen-core). +--- pyproject.toml.orig 2026-05-19 06:56:20 UTC +++ pyproject.toml @@ -3,8 +3,8 @@ requires = [ "Cython>=0.29.23", @@ -11,20 +16,19 @@ ] build-backend = "setuptools.build_meta" -@@ -72,7 +72,7 @@ dependencies = [ - "spglib>=2.5", - "sympy>=1.3", # PR #4116 +@@ -77,7 +77,7 @@ dependencies = [ + "tqdm>=4.67.3", "uncertainties>=3.1", -- "plotly>=6.0", -+ "plotly", - "joblib>=1.3.2", - "lxml>=4.9", - "bibtexparser", -@@ -118,9 +118,6 @@ zeopp = ["pyzeo; platform_system != 'Windows'"] # Not - # https://github.com/tblite/tblite/issues/175 + ] +-version = "2026.5.17" ++version = "2026.5.18" + + [project.urls] + Homepage = "https://pymatgen.org" +@@ -112,8 +112,6 @@ zeopp = ["pyzeo; platform_system != 'Windows'"] # Not tblite = ["tblite[ase]>=0.3.0; platform_system=='Linux' and python_version<'3.12'"] zeopp = ["pyzeo; platform_system != 'Windows'"] # Note: requires Voro++ and Zeo++ to be installed -- + -[project.scripts] -pmg = "pymatgen.cli.pmg:main" diff --git a/science/py-pymatgen-core/files/patch-src_pymatgen_core_structure.py b/science/py-pymatgen-core/files/patch-src_pymatgen_core_structure.py index 949ef97a271e..49edfa1b8482 100644 --- a/science/py-pymatgen-core/files/patch-src_pymatgen_core_structure.py +++ b/science/py-pymatgen-core/files/patch-src_pymatgen_core_structure.py @@ -1,6 +1,6 @@ ---- src/pymatgen/core/structure.py.orig 2026-04-20 04:32:30 UTC +--- src/pymatgen/core/structure.py.orig 2026-05-18 23:38:43 UTC +++ src/pymatgen/core/structure.py -@@ -1172,7 +1172,7 @@ class IStructure(SiteCollection, MSONable): +@@ -1182,7 +1182,7 @@ class IStructure(SiteCollection, MSONable): ) new_sites.append(periodic_site)home | help
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