Fix pseudo dojo library handling on process upload (#1384)

Some logic was missed in handling the relativistic information when loading the app from a process.

Author: edan-bainglass

src/aiidalab_qe/app/configuration/advanced/model.py

@@ -164,16 +164,17 @@ def set_model_state(self, parameters):
         )
         if pseudo_family_string := parameters.get("pseudo_family"):
             pseudo_family = PseudoFamily.from_string(pseudo_family_string)
-            library = pseudo_family.library
-            accuracy = pseudo_family.accuracy
+            library = f"{pseudo_family.library} {pseudo_family.accuracy}"
+            if relativistic := pseudo_family.relativistic:
+                library += f" ({relativistic})"
             pseudos.functional = pseudo_family.functional
-            pseudos.library = f"{library} {accuracy}"
+            pseudos.library = library
             pseudos.family = pseudo_family_string
         else:
-            pseudos.library = None
             pp_uuid = next(iter(parameters["pw"]["pseudos"].values()))
             pseudo_info = get_pseudo_info(pp_uuid)
             pseudos.functional = pseudo_info["functional"]
+            pseudos.library = None
             pseudos.family = None
             pseudos.show_upload_warning = True
 

src/aiidalab_qe/app/configuration/advanced/pseudos/model.py

@@ -137,18 +137,15 @@ def update_family_parameters(self):
 
         pseudo_family = PseudoFamily.from_string(pseudo_family_string)
         library = f"{pseudo_family.library} {pseudo_family.accuracy}"
+        if relativistic := pseudo_family.relativistic:
+            library += f" ({relativistic})"
 
-        if "FR" in pseudo_family_string:
-            library += " (FR)"
-        elif "SR" in pseudo_family_string:
-            library += " (SR)"
-
-        self._defaults["library"] = library
         self._defaults["functional"] = pseudo_family.functional
+        self._defaults["library"] = library
 
         with self.hold_trait_notifications():
-            self.library = self._defaults["library"]
             self.functional = self._defaults["functional"]
+            self.library = self._defaults["library"]
 
     def update_functionals(self):
         if self.loaded_from_process or not (self.functional and self.family):