PORTNAME=	qcengine
DISTVERSION=	0.18.0
CATEGORIES=	science python # chemistry
MASTER_SITES=	CHEESESHOP
PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}

MAINTAINER=	yuri@FreeBSD.org
COMMENT=	Quantum chemistry program executor and IO standardizer (QCSchema)

LICENSE=	BSD3CLAUSE
LICENSE_FILE=	${WRKSRC}/LICENSE

RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}py-cpuinfo>0:sysutils/py-py-cpuinfo@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}psutil>0:sysutils/py-psutil@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}pydantic>=1.0.0:devel/py-pydantic@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}qcelemental>=0.13.0:science/py-qcelemental@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}yaml>0:devel/py-yaml@${PY_FLAVOR}

USES=		python:3.6+
USE_PYTHON=	distutils concurrent autoplist

NO_ARCH=	yes

.include <bsd.port.mk>