Update tests

Author: edan-bainglass

tests/conftest.py

@@ -299,6 +299,7 @@ def sssp(generate_upf_data_for_session):
                 filename = f"{element}_{'_'.join(params.values())}.upf"
                 upf = generate_upf_data_for_session(element, filename, params)
                 upf.store()
+                upf.base.extras.set("functional", functional)
                 nodes.append(upf)
             family.add_nodes(nodes)
             family.set_cutoffs(CUTOFFS, accuracy, unit="Ry")
@@ -325,6 +326,7 @@ def pseudodojo(generate_upf_data_for_session):
                     filename = f"{element}_{'_'.join(params.values())}.upf"
                     upf = generate_upf_data_for_session(element, filename, params)
                     upf.store()
+                    upf.base.extras.set("functional", functional)
                     nodes.append(upf)
                 family.add_nodes(nodes)
                 family.set_cutoffs(CUTOFFS, stringency, unit="Ry")

tests/test_pseudo.py

@@ -373,12 +373,16 @@ def test_missing_pseudos(generate_structure_data):
     assert "does not contain a pseudopotential for Ce" in model.blockers[0]  # type: ignore
 
 
-def test_functional_mismatch_blocker(generate_structure_data):
+def test_functional_mismatch_blocker(generate_structure_data, generate_upf_data):
     """Test blocker for inconsistent functional across selected pseudopotentials."""
     model = PseudosConfigurationSettingsModel()
     _ = PseudosConfigurationSettingsPanel(model=model)
     model.structure_uuid = generate_structure_data("silica").uuid
-    model.functionals = ["PBE", "PBEsol"]
+    pseudo1 = generate_upf_data("Si", "Si_PBE.upf").store()
+    pseudo1.base.extras.set("functional", "PBE")
+    pseudo2 = generate_upf_data("O", "O_PBEsol.upf").store()
+    pseudo2.base.extras.set("functional", "PBEsol")
+    model.dictionary = {"Si": pseudo1.uuid, "O": pseudo2.uuid}
     assert len(model.blockers) == 1
     assert "must have the same exchange-correlation" in model.blockers[0]  # type: ignore