blob: c6a33367dd9cc96133759f08a9009145e33fba83 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
|
PORTNAME= pyberny
DISTVERSION= 0.6.3
CATEGORIES= science # chemistry
MASTER_SITES= CHEESESHOP
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
MAINTAINER= yuri@FreeBSD.org
COMMENT= Optimizer of molecular geometries with respect to the total energy
LICENSE= MPL20
LICENSE_FILE= ${WRKSRC}/LICENSE
RUN_DEPENDS= ${PYNUMPY}
TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pytest>0:devel/py-pytest@${PY_FLAVOR}
USES= python:3.5+
USE_PYTHON= distutils concurrent autoplist
NO_ARCH= yes
do-test: install # no tests run, see https://github.com/jhrmnn/pyberny/issues/36
@cd ${WRKSRC} && pytest -rs --pyargs berny
.include <bsd.port.mk>
|
