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PORTNAME= asap3
DISTVERSION= 3.12.8
CATEGORIES= science python # chemistry
MASTER_SITES= CHEESESHOP
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
MAINTAINER= yuri@FreeBSD.org
COMMENT= Classical potentials for MD with ASE
WWW= https://wiki.fysik.dtu.dk/asap
LICENSE= GPLv3
LICENSE_FILE= ${WRKSRC}/LICENSE
BUILD_DEPENDS= ${PYNUMPY}
LIB_DEPENDS= libmpich.so:net/mpich # not sure if this is used
RUN_DEPENDS= ${PYNUMPY} \
${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR}
USES= localbase python:3.7+
USE_PYTHON= distutils concurrent autoplist pytest
post-install:
@${STRIP_CMD} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/_asap.cpython-${PYTHON_SUFFIX}.so
.include <bsd.port.mk>
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