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PORTNAME= ase
DISTVERSION= 3.22.1
CATEGORIES= science python
MASTER_SITES= CHEESESHOP
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
MAINTAINER= yuri@FreeBSD.org
COMMENT= Atomic simulation environment
LICENSE= LGPL21
LICENSE_FILE= ${WRKSRC}/COPYING.LESSER
RUN_DEPENDS= ${PYNUMPY} \
${PYTHON_PKGNAMEPREFIX}matplotlib>=3.1.0:math/py-matplotlib@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}scipy>=1.1.0:science/py-scipy@${PY_FLAVOR} \
nwchem:science/nwchem
# optional dependencies: x11-toolkits/py-tkinter, www/py-flask (see https://wiki.fysik.dtu.dk/ase/install.html)
USES= python:3.7+
USE_PYTHON= distutils concurrent autoplist
NO_ARCH= yes
.include <bsd.port.mk>
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