PORTNAME=	molmod
DISTVERSION=	1.4.8
PORTREVISION=	4
CATEGORIES=	science python
MASTER_SITES=	PYPI
PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}

MAINTAINER=	yuri@FreeBSD.org
COMMENT=	Collection of molecular modelling tools for python
WWW=		https://github.com/molmod/molmod

LICENSE=	GPLv3+
LICENSE_FILE=	${WRKSRC}/LICENSE.txt

BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}numpy>=1.16:math/py-numpy@${PY_FLAVOR}
RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}numpy>=1.16:math/py-numpy@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}future>0:devel/py-future@${PY_FLAVOR}
TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}nose>0:devel/py-nose@${PY_FLAVOR}

USES=		python shebangfix
SHEBANG_GLOB=	*.py
USE_PYTHON=	autoplist cython0 cython0_run distutils

do-test: # Tests fail: https://github.com/molmod/molmod/issues/27
	@cd ${WRKSRC} && \
		${SETENV} ${MAKE_ENV} nosetests-${PYTHON_VER} -v molmod

.include <bsd.port.mk>
