Esempio n. 1
0
def test_get_gromacs_version(factory):
    exe = factory.factory.executable
    # XXX Can we do this in a different way?
    version = get_gromacs_version(exe)
    # Hmm.  Version could be any string.
    assert isinstance(version, str) and len(version) > 0
Esempio n. 2
0
 def version(self):
     from ase.calculators.gromacs import get_gromacs_version
     return get_gromacs_version(self.executable)