diff --git a/tests/vasp/flows/test_mp.py b/tests/vasp/flows/test_mp.py index d005e49518..de96e11b41 100644 --- a/tests/vasp/flows/test_mp.py +++ b/tests/vasp/flows/test_mp.py @@ -9,6 +9,7 @@ MPMetaGGARelaxMaker, MPPreRelaxMaker, ) +from atomate2.vasp.sets.mp import MPMetaGGARelaxSetGenerator if TYPE_CHECKING: from jobflow import Maker @@ -69,7 +70,13 @@ def test_mp_meta_gga_double_relax_static(mock_vasp, clean_dir, vasp_test_dir): mock_vasp(ref_paths, fake_run_vasp_kwargs) # generate flow - flow = MPMetaGGADoubleRelaxStaticMaker().make(si_struct) + flow = MPMetaGGADoubleRelaxStaticMaker( + relax_maker2=MPMetaGGARelaxMaker( + # TODO better test for bandgap_tol, isn't actually run by mock_vasp + # this just tests it can be passed without error + input_set_generator=MPMetaGGARelaxSetGenerator(bandgap_tol=0.1) + ) + ).make(si_struct) # ensure flow runs successfully responses = run_locally(flow, create_folders=True, ensure_success=True) diff --git a/tests/vasp/jobs/test_mp.py b/tests/vasp/jobs/test_mp.py index e54bd798d4..9b836403be 100644 --- a/tests/vasp/jobs/test_mp.py +++ b/tests/vasp/jobs/test_mp.py @@ -32,7 +32,7 @@ def test_mp_pre_relax_maker_default_values(): assert actual == expected, f"{key=}, {actual=}, {expected=}" -def test_mp_relax_maker_default_values(): +def test_mp_meta_gga_relax_maker_default_values(): maker = MPMetaGGARelaxMaker() assert maker.name == "MP meta-GGA relax" assert {*maker.input_set_generator.config_dict} >= {"INCAR", "POTCAR"}