Change remote run QE test to use global ASE config for profile

libAtoms · Jul 29, 2024 · 6b014c9 · 6b014c9
1 parent 845f2da
commit 6b014c9
Showing 1 changed file with 1 addition and 6 deletions.
diff --git a/tests/test_remote_run.py b/tests/test_remote_run.py
@@ -190,10 +190,6 @@ def do_generic_calc_qe(tmp_path, sys_name, monkeypatch, remoteinfo_env):
           'resources': {'max_time': '1h', 'num_nodes': 1},
           'num_inputs_per_queued_job': -36, 'check_interval': 10}
 
-    from ase.config import cfg as ase_cfg
-    from ase.calculators.espresso import EspressoProfile
-    profile = EspressoProfile.from_config(ase_cfg, "espresso")
-
     pspot = tmp_path / "Si.UPF"
     shutil.copy(Path(__file__).parent / "assets" / "QE" / "Si.pz-vbc.UPF", pspot)
 
@@ -209,8 +205,7 @@ def do_generic_calc_qe(tmp_path, sys_name, monkeypatch, remoteinfo_env):
         input_data={"SYSTEM": {"ecutwfc": 40, "input_dft": "LDA",}},
         kpts=(2, 2, 2),
         conv_thr=0.0001,
-        pseudo_dir=str(pspot.parent),
-        profile=profile
+        pseudo_dir=str(pspot.parent)
     )
 
     calc = (Espresso, [], kw)