adding spin-orbit coupling to process label (#954)

* adding spin-orbit coupling to process label

src/aiidalab_qe/app/submission/model.py

@@ -98,6 +98,13 @@ def update_process_label(self):
             "workchain",
             {"properties": []},
         )
+
+        soc_parameters = self.input_parameters["advanced"]["pw"]["parameters"][
+            "SYSTEM"
+        ].get("lspinorb", False)
+
+        soc_info = "spin-orbit coupling" if soc_parameters else ""
+
         properties = [p for p in workchain_data["properties"] if p != "relax"]
         relax_type = workchain_data.get("relax_type", "none")
         relax_info = "unrelaxed"
@@ -109,7 +116,15 @@ def update_process_label(self):
         if workchain_data["spin_type"] != "none":
             protocol_and_magnetic_info += ", magnetic"
         properties_info = f"→ {', '.join(properties)}" if properties else ""
-        label = f"{structure_label} [{relax_info}, {protocol_and_magnetic_info}] {properties_info}".strip()
+
+        label_details = [
+            relax_info,
+            protocol_and_magnetic_info,
+            soc_info,
+        ]
+        filtered_label_details = [detail for detail in label_details if detail]
+        label = f"{structure_label} [{', '.join(filtered_label_details)}] {properties_info}".strip()
+
         self.process_label = label
 
     def update_submission_blockers(self):

src/aiidalab_qe/workflows/__init__.py

@@ -175,6 +175,7 @@ def get_builder_from_protocol(
             "base_final_scf": parameters["advanced"],
         }
         protocol = parameters["workchain"]["protocol"]
+
         relax_builder = PwRelaxWorkChain.get_builder_from_protocol(
             code=codes["global"]["codes"].get("quantumespresso.pw")["code"],
             structure=structure,