easyconfigs-it4i/ARCHIVE/a/ASE/ASE-3.21.1-Py-3.7.eb
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# IT4Innovations 2020
easyblock = 'PythonPackage'
name = 'ASE'
version = '3.21.1'
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'