PORTNAME=	pymatgen
DISTVERSION=	2022.7.19
PORTREVISION=	1
CATEGORIES=	science python
MASTER_SITES=	PYPI
PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}

MAINTAINER=	yuri@FreeBSD.org
COMMENT=	Python Materials Genomics is a robust materials analysis code
WWW=		https://pymatgen.org/

LICENSE=	MIT
LICENSE_FILE=	${WRKSRC}/LICENSE.rst

BUILD_DEPENDS=	${PYNUMPY}
RUN_DEPENDS=	${PYNUMPY} \
		${PYTHON_PKGNAMEPREFIX}beautifulsoup>0:www/py-beautifulsoup@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}monty>0:devel/py-monty@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}networkx>0:math/py-networkx@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}palettable>=3.3.0:misc/py-palettable@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}pandas>0:math/py-pandas@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}plotly>0:graphics/py-plotly@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}requests>0:www/py-requests@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}ruamel.yaml>0:devel/py-ruamel.yaml@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}scipy>=1.7.3:science/py-scipy@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}six>0:devel/py-six@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}spglib>0:science/py-spglib@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}sympy>0:math/py-sympy@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}tabulate>0:devel/py-tabulate@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}tqdm>0:misc/py-tqdm@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}typing-extensions>0:devel/py-typing-extensions@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}uncertainties>=3.1.6:math/py-uncertainties@${PY_FLAVOR}
TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pybtex>0:textproc/py-pybtex@${PY_FLAVOR}

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

post-install:
	@cd ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/${PORTNAME} && ${STRIP_CMD} \
		optimization/linear_assignment*.so \
		optimization/neighbors*.so \
		util/coord_cython*.so

# tests fail: https://github.com/materialsproject/pymatgen/issues/2275, https://github.com/materialsproject/pymatgen/issues/2592
pre-test:
	@cd ${WRKSRC} && ${PYTHON_CMD} ${PYSETUP} build_ext --inplace

.include <bsd.port.mk>