Works

src/aiidalab_qe/app/submission/__init__.py

@@ -154,6 +154,12 @@ def render(self):
             "selected_index",
         )
 
+        self.plugin_override_notification = ipw.HTML()
+        ipw.dlink(
+            (self._model, "plugin_override_notification"),
+            (self.plugin_override_notification, "value"),
+        )
+
         self.children = [
             ipw.HTML("""
                 <div style="padding-top: 0px; padding-bottom: 0px">
@@ -168,6 +174,7 @@ def render(self):
                     on "Setup new code".
                 </div>
             """),
+            self.plugin_override_notification,
             self.tabs,
             self.sssp_installation,
             self.qe_setup,
@@ -190,6 +197,7 @@ def render(self):
         ]
 
         self.rendered = True
+
         self._update_tabs()
 
     def submit(self, _=None):
@@ -218,6 +226,14 @@ def _on_input_parameters_change(self, _):
         self._model.update_process_label()
         self._model.update_submission_blockers()
 
+    def _on_plugin_resources_override_change(self, _):
+        overrides = [
+            identifier
+            for identifier, model in self._model.get_models()
+            if identifier != "global" and model.override
+        ]
+        self._model.update_plugin_override_notification(overrides)
+
     def _on_plugin_submission_blockers_change(self, _):
         self._model.update_submission_blockers()
 
@@ -329,6 +345,10 @@ def _fetch_plugin_resource_settings(self):
 
             panel = resources["panel"]
             model: ResourceSettingsModel = resources["model"]()
+            model.observe(
+                self._on_plugin_resources_override_change,
+                "override",
+            )
             model.observe(
                 self._on_plugin_submission_blockers_change,
                 ["submission_blockers"],

src/aiidalab_qe/app/submission/model.py

@@ -29,6 +29,11 @@ class SubmissionStepModel(
     process_label = tl.Unicode("")
     process_description = tl.Unicode("")
 
+    plugin_override_notification = tl.Unicode("""
+        <div class="alert alert-info">
+            You can override resource settings per plugin in the plugin tabs.
+        </div>
+    """)
     submission_blocker_messages = tl.Unicode("")
     submission_warning_messages = tl.Unicode("")
 
@@ -103,6 +108,22 @@ def update_process_label(self):
         label = f"{structure_label} [{relax_info}, {protocol_and_magnetic_info}] {properties_info}".strip()
         self.process_label = label
 
+    def update_plugin_override_notification(self, overrides):
+        if overrides:
+            formatted = ",  ".join(overrides)
+            self.plugin_override_notification = f"""
+                <div class="alert alert-info">
+                    You can override resource settings per plugin in the plugin tabs.
+                    <br>
+                    <strong>Currently overriding plugin resources for: </strong>
+                    {formatted}
+                </div>
+            """
+        else:
+            self.plugin_override_notification = self.traits()[
+                "plugin_override_notification"
+            ].default_value
+
     def update_submission_blockers(self):
         submission_blockers = list(self._check_submission_blockers())
         for _, model in self.get_models():
@@ -120,12 +141,12 @@ def update_submission_warnings(self):
     def update_submission_blocker_message(self):
         blockers = self.internal_submission_blockers + self.external_submission_blockers
         if any(blockers):
-            fmt_list = "\n".join(f"<li>{item}</li>" for item in sorted(blockers))
+            formatted = "\n".join(f"<li>{item}</li>" for item in blockers)
             self.submission_blocker_messages = f"""
                 <div class="alert alert-danger">
                     <b>The submission is blocked due to the following reason(s):</b>
                     <ul>
-                        {fmt_list}
+                        {formatted}
                     </ul>
                 </div>
             """

src/aiidalab_qe/common/code/model.py

@@ -78,20 +78,14 @@ def set_model_state(self, parameters):
         self.cpus_per_task = parameters.get("cpus_per_task", 1)
         self.max_wallclock_seconds = parameters.get("max_wallclock_seconds", 3600 * 12)
 
-    def reset(self):
-        # TODO reset to global resources
-        pass
-
     def _get_uuid(self, identifier):
-        if not self.selected:
-            try:
-                uuid = orm.load_code(identifier).uuid
-            except NotExistent:
-                uuid = None
-            # If the code was imported from another user, it is not usable
-            # in the app and thus will not be considered as an option!
-            self.selected = uuid if uuid in [opt[1] for opt in self.options] else None
-        return self.selected
+        try:
+            uuid = orm.load_code(identifier).uuid
+        except NotExistent:
+            uuid = None
+        # If the code was imported from another user, it is not usable
+        # in the app and thus will not be considered as an option!
+        return uuid if uuid in [opt[1] for opt in self.options] else None
 
     def _get_codes(self, user_email: str = ""):
         user = orm.User.collection.get(email=user_email)
@@ -159,6 +153,8 @@ def set_model_state(self, parameters):
         if "parallelization" in parameters and "npool" in parameters["parallelization"]:
             self.parallelization_override = True
             self.npool = parameters["parallelization"].get("npool", 1)
+        else:
+            self.parallelization_override = False
 
 
 CodesDict = dict[str, CodeModel]

src/aiidalab_qe/common/panel.py

@@ -272,9 +272,8 @@ def set_selected_codes(self, code_data=DEFAULT["codes"]):
                 code_model.set_model_state(code_data[name])
 
     def reset(self):
-        """Reset the model to its default state."""
-        for code_model in self.codes.values():
-            code_model.reset()
+        """If not overridden, updates the model w.r.t the global resources."""
+        self.update()
 
     def _link_codes(self):
         for code_model in self.codes.values():
@@ -341,17 +340,8 @@ def _on_global_codes_change(self, _):
     def _on_code_resource_change(self, _):
         """Update the submission blockers and warning messages."""
 
-    def _on_override_change(self, change):
-        if change["new"]:
-            for code_widget in self.code_widgets.values():
-                code_widget.num_nodes.disabled = False
-                code_widget.num_cpus.disabled = False
-                code_widget.code_selection.code_select_dropdown.disabled = False
-        else:
-            for code_widget in self.code_widgets.values():
-                code_widget.num_nodes.disabled = True
-                code_widget.num_cpus.disabled = True
-                code_widget.code_selection.code_select_dropdown.disabled = True
+    def _on_override_change(self, _):
+        self._model.reset()
 
     def _toggle_code(self, code_model: CodeModel):
         if not self.rendered:
@@ -377,19 +367,14 @@ def _render_code_widget(
         code_widget: QEAppComputationalResourcesWidget,
     ):
         code_model.update()
-        ipw.dlink(
+        ipw.link(
             (code_model, "options"),
             (code_widget.code_selection.code_select_dropdown, "options"),
         )
         ipw.link(
             (code_model, "selected"),
             (code_widget.code_selection.code_select_dropdown, "value"),
         )
-        ipw.dlink(
-            (code_model, "selected"),
-            (code_widget.code_selection.code_select_dropdown, "disabled"),
-            lambda selected: not selected,
-        )
         ipw.dlink(
             (code_model, "override"),
             (code_widget.code_selection.code_select_dropdown, "disabled"),
@@ -449,9 +434,18 @@ def _render_code_widget(
                 (code_widget.parallelization.override, "disabled"),
                 lambda override: not override,
             )
+            code_model.observe(
+                self._on_code_resource_change,
+                [
+                    "parallelization_override",
+                    "npool",
+                ],
+            )
         code_model.observe(
             self._on_code_resource_change,
             [
+                "options",
+                "selected",
                 "num_cpus",
                 "num_nodes",
                 "ntasks_per_node",