# IT4Innovations 2017

easyblock = 'PythonPackage'

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

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 = SYSTEM

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

dependencies = [
    ('Python', '3.6.1'),
    #    ('numpy', '1.13.0', '-Python-2.7.13-base'),
    #    ('scipy', '0.19.1', '-Python-2.7.13-base'),
    #    ('matplotlib', '2.0.2', '-Python-2.7.13-base'),
]

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'
