55 lines
2.2 KiB
Makefile
55 lines
2.2 KiB
Makefile
PORTNAME= kliff
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DISTVERSIONPREFIX= v
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DISTVERSION= 1.0.1-45
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DISTVERSIONSUFFIX= -gdf2d4de
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CATEGORIES= science python # chemistry
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#MASTER_SITES= PYPI # release 1.0.1 is faulty: it has the numpy<2 requirement
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PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= KIM-based Learning-Integrated Fitting Framework
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WWW= https://kliff.readthedocs.io/en/latest/ \
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https://github.com/openkim/kliff
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LICENSE= LGPL21
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LICENSE_FILE= ${WRKSRC}/LICENSE
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BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pybind11>0:devel/py-pybind11@${PY_FLAVOR}
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RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}loguru>0:devel/py-loguru@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}monty>0:devel/py-monty@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}numpy>0:math/py-numpy@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}requests>0:www/py-requests@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}pyyaml>0:devel/py-pyyaml@${PY_FLAVOR}
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RUN_DEPENDS_torch= \
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${PYTHON_PKGNAMEPREFIX}pytorch>0:misc/py-pytorch@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}pytorch-lightning>0:misc/py-pytorch-lightning@${PY_FLAVOR}
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# missing: torch_geometric, torch_scatter, tensorboard, tensorboardx
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RUN_DEPENDS+= ${RUN_DEPENDS_torch}
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TEST_DEPENDS+= ${PYTHON_PKGNAMEPREFIX}emcee>0:math/py-emcee@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}kimpy>0:science/py-kimpy@${PY_FLAVOR} \
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${PYTHON_PKGNAMEPREFIX}pytest-cov>0:devel/py-pytest-cov@${PY_FLAVOR}
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# libdescriptor is missing
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# also need 'torch' dependency
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USES= compiler:c++11-lang python
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USE_PYTHON= distutils autoplist pytest # tests fail to run, see https://github.com/openkim/kliff/issues/81, and https://github.com/openkim/kliff/issues/197
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USE_GITHUB= yes
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GH_ACCOUNT= openkim
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TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}
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TEST_WRKSRC= ${WRKSRC}/tests
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TEST_ARGS= --disable-plugin-autoload
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post-install:
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@${FIND} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} -name "*.so" | ${XARGS} ${STRIP_CMD}
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test-quick:
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@cd ${TEST_WRKSRC} && ${SETENV} ${TEST_ENV} ${PYTHON_CMD} ${FILESDIR}/example.py
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# tests as of 0.4.4: 17 failed, 29 passed, 16 errors in 14.58s, see https://github.com/openkim/kliff/issues/210
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.include <bsd.port.mk>
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