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PORTNAME= kliff
DISTVERSION= 0.4.4
CATEGORIES= science python # chemistry
MASTER_SITES= PYPI
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
MAINTAINER= yuri@FreeBSD.org
COMMENT= KIM-based Learning-Integrated Fitting Framework
WWW= https://kliff.readthedocs.io/en/latest/ \
https://github.com/openkim/kliff
LICENSE= LGPL21
LICENSE_FILE= ${WRKSRC}/LICENSE
BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pybind11>0:devel/py-pybind11@${PY_FLAVOR}
RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}loguru>0:devel/py-loguru@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}monty>0:devel/py-monty@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}requests>0:www/py-requests@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pyyaml>0:devel/py-pyyaml@${PY_FLAVOR}
RUN_DEPENDS+= ${PYTHON_PKGNAMEPREFIX}emcee>0:math/py-emcee@${PY_FLAVOR} \
${PYNUMPY} \
${PYTHON_PKGNAMEPREFIX}kimpy>0:science/py-kimpy@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pytorch>0:misc/py-pytorch@${PY_FLAVOR} \
USES= compiler:c++11-lang python
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
TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}
TEST_WRKSRC= ${WRKSRC}/tests
post-install:
@${FIND} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} -name "*.so" | ${XARGS} ${STRIP_CMD}
# tests as of 0.4.4: 17 failed, 29 passed, 16 errors in 14.58s, see https://github.com/openkim/kliff/issues/210
.include <bsd.port.mk>
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