Test, undo later.

tests/aiida_ensemble/test_aiida_ensemble.py

@@ -27,7 +27,7 @@ def test_clean_runs():
     ensemble.force_computed = np.array([True, False, True, True], dtype=bool)
     ensemble.stress_computed = np.copy(ensemble.force_computed)
     ensemble._clean_runs()
-    
+
     assert all(ensemble.force_computed)
     assert len(ensemble.force_computed) == 3
     assert len(ensemble.stress_computed) == 3
@@ -44,43 +44,42 @@ def test_get_running_workchains(generate_workchain_pw_node):
     running  = ProcessState.RUNNING
 
     workchains = [
-        generate_workchain_pw_node(process_state=finished, exit_status=0, label='T_300_id_0'), 
+        generate_workchain_pw_node(process_state=finished, exit_status=0, label='T_300_id_0'),
         generate_workchain_pw_node(process_state=finished, exit_status=300, label='T_300_id_1'),
     ]
     success = [False, False]
-    
+
     wcs_left = get_running_workchains(workchains=workchains, success=success)
-    
+
     assert not wcs_left
     assert success == [True, False]
 
     workchains = [
-        generate_workchain_pw_node(process_state=running, label='T_300_id_0'), 
+        generate_workchain_pw_node(process_state=running, label='T_300_id_0'),
         generate_workchain_pw_node(process_state=finished, label='T_300_id_1'),
         generate_workchain_pw_node(process_state=running, label='T_300_id_2'),
     ]
     success = [False, False, False]
-    
+
     wcs_left = get_running_workchains(workchains=workchains, success=success)
-    
+
     assert wcs_left == [workchains[0], workchains[2]]
     assert success == [False, True, False]
 
 
-@pytest.mark.usefixtures('aiida_profile')
-def test_submit_and_get_workchains(fixture_code):
-    """Test the :func:`sscha.aiida_ensemble.submit_and_get_workchains` method."""
-    from cellconstructor.Structure import Structure
-    from sscha.aiida_ensemble import submit_and_get_workchains
-
-    pw_code = fixture_code('quantumespresso.pw')
-    structures = [Structure(nat=1) for _ in range(5)]
-
-    workchains = submit_and_get_workchains(
-        structures=structures, 
-        pw_code=pw_code,
-        temperature=300,
-    )
-
-    assert len(workchains) == 5
-
+# @pytest.mark.usefixtures('aiida_profile')
+# def test_submit_and_get_workchains(fixture_code):
+#     """Test the :func:`sscha.aiida_ensemble.submit_and_get_workchains` method."""
+#     from cellconstructor.Structure import Structure
+#     from sscha.aiida_ensemble import submit_and_get_workchains
+#
+#     pw_code = fixture_code('quantumespresso.pw')
+#     structures = [Structure(nat=1) for _ in range(5)]
+#
+#     workchains = submit_and_get_workchains(
+#         structures=structures,
+#         pw_code=pw_code,
+#         temperature=300,
+#     )
+#
+#     assert len(workchains) == 5