# IT4Innovations 2019

easyblock = 'PythonPackage'

name = 'alchemlyb'
version = '0.1.0'

homepage = 'https://github.com/alchemistry/alchemlyb/'
description = """alchemlyb is an attempt to make alchemical free energy calculations easier to do by leveraging the full power and flexibility of the PyData stack"""

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

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

dependencies = [
    ('numpy', '1.13.3'),
    ('scipy', '1.0.0'),
    ('pandas', '0.23.4'),
    ('pymbar', '3.0.3'),
]

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

moduleclass = 'python'
