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PORTNAME= rmsd
DISTVERSIONPREFIX= ${PORTNAME}-
DISTVERSION= 1.6.3
PORTREVISION= 1
CATEGORIES= science
#MASTER_SITES= PYPI # missing test files, see https://github.com/charnley/rmsd/issues/123
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
MAINTAINER= yuri@FreeBSD.org
COMMENT= Calculate root-mean-square deviation (RMSD) between coordinate sets
WWW= https://github.com/charnley/rmsd
LICENSE= BSD2CLAUSE
RUN_DEPENDS= ${PYNUMPY} \
${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR}
USES= python
USE_PYTHON= distutils autoplist concurrent pytest
USE_GITHUB= yes
GH_ACCOUNT= charnley
# tests as of 1.6.3: 1 failed, 51 passed, 1 skipped in 8.53s, failure due to the missing science/py-qmllib that fails to build
.include <bsd.port.mk>
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