# IT4Innovations 2020

easyblock = 'PythonPackage'

name = 'ASE'
version = '3.18.1'

homepage = 'https://wiki.fysik.dtu.dk/ase/'
description = """ASE is a python package providing an open source Atomic Simulation Environment
 in the Python scripting language."""

toolchain = {'name': 'Py', 'version': '3.7'}

source_urls = [PYPI_LOWER_SOURCE]
sources = [SOURCELOWER_TAR_GZ]

dependencies = [
    ('numpy', '1.18.1'),
    ('scipy', '1.3.3'),
    ('matplotlib', '3.1.0'),
    ('click', '7.0'),
]

sanity_check_paths = {
    'files': [
        'bin/ase-build',
        'bin/ase-db',
        'bin/ase-gui',
        'bin/ase-info',
        'bin/ase-run'],
    'dirs': ['lib/python3.7/site-packages'],
}

moduleclass = 'python'
