PORTNAME=	scoria
DISTVERSION=	1.0.5
PORTREVISION=	4
CATEGORIES=	science python
MASTER_SITES=	PYPI
PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}

MAINTAINER=	yuri@FreeBSD.org
COMMENT=	Lightweight molecule manipulation codebase
WWW=		https://git.durrantlab.pitt.edu/jdurrant/scoria

LICENSE=	APACHE20

RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}numpy>=1.16:math/py-numpy@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR}

USES=		python
USE_PYTHON=	autoplist distutils
NO_ARCH=	yes

.include <bsd.port.mk>