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PORTNAME= pymatgen
DISTVERSION= 2022.0.17
CATEGORIES= science python
MASTER_SITES= CHEESESHOP
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
MAINTAINER= yuri@FreeBSD.org
COMMENT= Python Materials Genomics is a robust materials analysis code
LICENSE= MIT
LICENSE_FILE= ${WRKSRC}/LICENSE.rst
BUILD_DEPENDS= ${PYNUMPY}
RUN_DEPENDS= ${PYNUMPY} \
${PYTHON_PKGNAMEPREFIX}beautifulsoup>=4.9.3:www/py-beautifulsoup@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}matplotlib>=1.5:math/py-matplotlib@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}monty>=3.0.2:devel/py-monty@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}networkx>=2.2:math/py-networkx@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}palettable>=3.1.1:misc/py-palettable@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pandas>0:math/py-pandas@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}plotly>=4.5.0:graphics/py-plotly@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}requests>0:www/py-requests@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}ruamel.yaml>0:devel/py-ruamel.yaml@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}scipy>=1.5.0:science/py-scipy@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}six>0:devel/py-six@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}spglib>=1.9.9.44:science/py-spglib@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}sympy>0:math/py-sympy@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}tabulate>0:devel/py-tabulate@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}typing-extensions>0:devel/py-typing-extensions@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}uncertainties>=3.1.4:math/py-uncertainties@${PY_FLAVOR}
TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pytest>0:devel/py-pytest@${PY_FLAVOR}
USES= compiler:c++11-lang python:3.7+
USE_PYTHON= distutils cython concurrent autoplist
post-install:
@cd ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/${PORTNAME} && ${STRIP_CMD} \
optimization/linear_assignment*.so \
optimization/neighbors*.so \
util/coord_cython*.so
do-test: # tests fail: https://github.com/materialsproject/pymatgen/issues/2275
@cd ${WRKSRC} && ${SETENV} ${TEST_ENV} ${PYTHON_CMD} -m pytest
.include <bsd.port.mk>
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