# IT4Innovations 2017

easyblock = 'PythonPackage'

name = 'ASE'
version = '3.15.0'
versionsuffix = '-Python-%(local_pyver)s'

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': 'intel', 'version': '2017a'}

source_urls = [PYPI_LOWER_SOURCE]
sources = [SOURCELOWER_TAR_GZ]
checksums = ['5e22d961b1311ef4ba2d83527f7cc7448abac8cf9bddd1593bee548459263fe8']

dependencies = [
    ('Python', '2.7.13', '-base', True),
    ('numpy', '1.13.0', '-Python-2.7.13-base', True),
]

sanity_check_paths = {
    'files': [
        'bin/ase-build',
        'bin/ase-db',
        'bin/ase-gui',
        'bin/ase-info',
        'bin/ase-run'],
    'dirs': ['lib/python%(local_pyshortver)s/site-packages'],
}

moduleclass = 'chem'