# IT4Innovations 2019

easyblock = 'PythonPackage'

name = 'pymbar'
version = '3.0.3'

homepage = 'https://github.com/MobleyLab/alchemical-analysis'
description = """An open tool implementing some recommended practices for analyzing alchemical free energy calculations"""

toolchain = {'name': 'Py', 'version': '2.7'}

source_urls = ['https://github.com/choderalab/pymbar/archive/']
sources = ['%(version)s.tar.gz']

dependencies = [
    ('numpy', '1.13.3'),
    ('six' , '1.11.0'),
    ('scipy', '1.0.0'),
]

sanity_check_paths = {
    'files': [],
    'dirs': ['lib/python2.7/site-packages/'],
}

moduleclass = 'python'
