File: test_abinit_cmdline.py

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import pytest


@pytest.mark.skip('CLI must support calculator profiles')
def test_abinit_cmdline(abinit_factory, cli):
    cli.shell("""
    ase build -x fcc -a 4.04 Al |
    ase -T run abinit -p xc=PBE,kpts=3.0,ecut=340,toldfe=1e-5,chksymbreak=0""",
        'abinit')