easyblock = 'PythonPackage'

name = 'QuickFF'
version = '2.2.0'
versionsuffix = '-Python-%(pyver)s'

homepage = 'http://molmod.github.io/QuickFF/'
description = """QuickFF is a Python package developed at the Center for
Molecular Modeling (CMM) to quickly derive accurate force fields from ab initio
calculations."""

toolchain = {'name': 'intel', 'version': '2017b'}

source_urls = ['https://github.com/molmod/QuickFF/archive/']
sources = [SOURCE_TAR_GZ]
checksums = ['47444286fabcee52b97f2edf189a5fddf2a1061b44bd64b3e427e07b0408b227']

dependencies = [
    ('Python', '2.7.14'),
    ('matplotlib', '2.1.0', versionsuffix),
    ('molmod', '1.4.3', versionsuffix),
    ('yaff', '1.4.2', versionsuffix),
]

sanity_check_paths = {
    'files': [],
    'dirs': ['lib/python%(pyshortver)s/site-packages/%(namelower)s'],
}

moduleclass = 'chem'
