PORTNAME=	plumed
DISTVERSION=	2.10.0
CATEGORIES=	science python
MASTER_SITES=	PYPI
PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}

MAINTAINER=	yuri@FreeBSD.org
COMMENT=	Python interface to PLUMED
WWW=		http://www.plumed.org

LICENSE=	LGPL3

BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}setuptools>0:devel/py-setuptools@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR}
RUN_DEPENDS=	${LOCALBASE}/lib/libplumedKernel.so:science/plumed \
		${PYTHON_PKGNAMEPREFIX}numpy>0,1:math/py-numpy@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}pandas>0:math/py-pandas@${PY_FLAVOR}

USES=		python
USE_PYTHON=	pep517 autoplist pytest

TEST_ENV=	${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} \
		PLUMED_KERNEL=${LOCALBASE}/lib/libplumedKernel.so
# test data files (HILLS_av*, COLVAR*, traj.xyz) are missing from the sdist, test_mpi requires plumed built with MPI
TEST_ARGS=	--disable-plugin-autoload \
		--ignore=test/test_hills_average.py \
		--ignore=test/test_mpi.py \
		--ignore=test/test_pandas.py \
		--deselect=test/test_run.py::Test::test

# tests as of 2.10.0: 27 passed, 1 deselected

.include <bsd.port.mk>
