PORTNAME=	pymatgen-core
DISTVERSIONPREFIX=	v
DISTVERSION=	2026.4.16
CATEGORIES=	science python
PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}

MAINTAINER=	yuri@FreeBSD.org
COMMENT=	Python Materials Genomics core data structures and algorithms
WWW=		https://pymatgen.org/ \
		https://github.com/materialsproject/pymatgen-core

LICENSE=	MIT
LICENSE_FILE=	${WRKSRC}/LICENSE

BUILD_DEPENDS=	${PY_SETUPTOOLS} \
		${PYTHON_PKGNAMEPREFIX}numpy1>0:math/py-numpy1@${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} \
		${PYTHON_PKGNAMEPREFIX}matplotlib>=3.8:math/py-matplotlib@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}monty>=2026.2.18:devel/py-monty@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}mpmath>=1.3.0:math/py-mpmath@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}networkx>=2.7:math/py-networkx@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}numpy1>0:math/py-numpy1@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}orjson>=3.10.18:devel/py-orjson@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}packaging>=24.2:devel/py-packaging@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}palettable>=3.3.3:misc/py-palettable@${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} \
		${PYTHON_PKGNAMEPREFIX}requests>=2.32.5:www/py-requests@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}scipy>=1.14.1:science/py-scipy@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}six>=1.16.0:devel/py-six@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}spglib>=2.5.0:science/py-spglib@${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} \
		${PYTHON_PKGNAMEPREFIX}uncertainties>=3.1:math/py-uncertainties@${PY_FLAVOR}

USES=		compiler:c++11-lang python
USE_PYTHON=	pep517 cython concurrent autoplist pytest

USE_GITHUB=	yes
GH_ACCOUNT=	materialsproject
GH_PROJECT=	pymatgen-core

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)

.include <bsd.port.mk>