Yuri Victorovich
45 lines
1.7 KiB
Makefile
45 lines
1.7 KiB
Makefile
PORTNAME= icet
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DISTVERSION= 3.2
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PORTREVISION= 2
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CATEGORIES= science # chemistry, physics
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#MASTER_SITES= PYPI # no tests
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PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= Pythonic approach to alloy cluster expansions
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WWW= https://icet.materialsmodeling.org \
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https://gitlab.com/materials-modeling/icet
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LICENSE= MPL20
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LICENSE_FILE= ${WRKSRC}/LICENSE
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BUILD_DEPENDS= ${PY_SETUPTOOLS} \
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${PYTHON_PKGNAMEPREFIX}pybind11>0:devel/py-pybind11@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR}
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RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}numba>=0.55:devel/py-numba@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}numpy>=1.16:math/py-numpy@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}pandas>=0.23:math/py-pandas@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}scipy>=1.0.0:science/py-scipy@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}spglib>=1.12.0:science/py-spglib@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}trainstation>=1.1:science/py-trainstation@${PY_FLAVOR}
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USES= compiler:c++14-lang python
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USE_PYTHON= pep517 autoplist pytest
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USE_GITLAB= yes
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GL_ACCOUNT= materials-modeling
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TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}
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TEST_WRKSRC= ${WRKSRC}/tests
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post-install:
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@${FIND} ${STAGEDIR}${PYTHON_SITELIBDIR} -maxdepth 1 -name '_icet*.so' -exec ${STRIP_CMD} {} +
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pre-test: # this test causes the whole testsuite to hard-fail in the beginning for some reason
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@${RM} -rf ${TEST_WRKSRC}/unittest/test_mchammer/test_site_occupancy_observer.py
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# tests as of 3.2: 33 failed, 794 passed, 5 warnings in 166.64s (0:02:46), see https://gitlab.com/materials-modeling/icet/-/issues/630
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.include <bsd.port.mk>
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