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# fmt: off
import pytest
snippets = {
'22.0.2': """\
*******************************************************************************
** **
** MOPAC v22.0.2 **
** **
*******************************************************************************
""",
'21.298M': """\
*******************************************************************************
** Cite this program as: MOPAC2016, Version: 21.298M, James J. P. Stewart, **
** web-site: HTTP://OpenMOPAC.net. **
*******************************************************************************
""",
'20.173L': """\
*******************************************************************************
** Site#: 0 For non-commercial use only Version 20.173L 64BITS **
*******************************************************************************
** Cite this program as: MOPAC2016, Version: 20.173L, James J. P. Stewart, **
** Stewart Computational Chemistry, web-site: HTTP://OpenMOPAC.net. **
*******************************************************************************
""",
}
@pytest.mark.parametrize('version', [*snippets])
def test_version(version):
from ase.calculators.mopac import get_version_number
lines = snippets[version].splitlines()
assert get_version_number(lines) == version
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