Fix blocker system

edan-bainglass · edan-bainglass · commit 83e8834f3cfc · 2026-05-22T15:24:48.000Z
diff --git a/pyproject.toml b/pyproject.toml
@@ -27,7 +27,7 @@ output-format = "full"
 target-version = "py39"
 
 [tool.ruff.lint]
-ignore = ["E501", "E402", "TRY003", "RUF012", "N806"]
+ignore = ["ARG002", "E501", "E402", "TRY003", "RUF012", "N806"]
 select = [
   "A",    # flake8-builtins
   "ARG",  # flake8-unused-arguments
diff --git a/src/aiidalab_qe/app/configuration/advanced/convergence/model.py b/src/aiidalab_qe/app/configuration/advanced/convergence/model.py
@@ -50,7 +50,7 @@ class ConvergenceConfigurationSettingsModel(
 
     include = True  # build-in panel
 
-    def update(self, specific=""):
+    def _update(self, specific=""):
         if specific == "structure":
             self._update_help_message()
         if specific in {"structure", "protocol"}:
diff --git a/src/aiidalab_qe/app/configuration/advanced/hubbard/hubbard.py b/src/aiidalab_qe/app/configuration/advanced/hubbard/hubbard.py
@@ -86,7 +86,7 @@ def _on_hubbard_activation(self, _):
     def _on_eigenvalues_definition(self, _):
         self._toggle_eigenvalues_widget()
 
-    def _update(self):
+    def _update_ui(self):
         self._show_loading()
         self._build_hubbard_widget()
         self._toggle_hubbard_widget()
@@ -171,18 +171,20 @@ def update(index, spin, state, symbol, value):
                     [
                         lambda eigenvalues,
                         kind_index=kind_index,
-                        state_index=state_index: str(
-                            int(eigenvalues[kind_index][0][state_index][-1])
+                        state_index=state_index: (
+                            str(int(eigenvalues[kind_index][0][state_index][-1]))
                         ),
                         lambda value,
                         kind_index=kind_index,
                         state_index=state_index,
-                        kind_name=kind_name: update(
-                            kind_index,
-                            1,
-                            state_index,
-                            kind_name,
-                            float(value),
+                        kind_name=kind_name: (
+                            update(
+                                kind_index,
+                                1,
+                                state_index,
+                                kind_name,
+                                float(value),
+                            )
                         ),
                     ],
                 )
@@ -204,18 +206,20 @@ def update(index, spin, state, symbol, value):
                     [
                         lambda eigenvalues,
                         kind_index=kind_index,
-                        state_index=state_index: str(
-                            int(eigenvalues[kind_index][1][state_index][-1])
+                        state_index=state_index: (
+                            str(int(eigenvalues[kind_index][1][state_index][-1]))
                         ),
                         lambda value,
                         kind_index=kind_index,
                         state_index=state_index,
-                        kind_name=kind_name: update(
-                            kind_index,
-                            2,
-                            state_index,
-                            kind_name,
-                            float(value),
+                        kind_name=kind_name: (
+                            update(
+                                kind_index,
+                                2,
+                                state_index,
+                                kind_name,
+                                float(value),
+                            )
                         ),
                     ],
                 )
diff --git a/src/aiidalab_qe/app/configuration/advanced/hubbard/model.py b/src/aiidalab_qe/app/configuration/advanced/hubbard/model.py
@@ -47,7 +47,7 @@ class HubbardConfigurationSettingsModel(
     def needs_eigenvalues_widget(self):
         return len(self.applicable_kind_names) > 0
 
-    def update(self, specific=""):  # noqa: ARG002
+    def _update(self, specific=""):
         if not self.has_structure:
             self.applicable_kind_names = []
             self.orbital_labels = []
diff --git a/src/aiidalab_qe/app/configuration/advanced/magnetization/magnetization.py b/src/aiidalab_qe/app/configuration/advanced/magnetization/magnetization.py
@@ -128,7 +128,7 @@ def _on_magnetization_type_change(self, _):
         self._toggle_widgets()
         self._model.update_type_help()
 
-    def _update(self):
+    def _update_ui(self):
         self._show_loading()
         self._build_moments_list()
         self._switch_widgets()
diff --git a/src/aiidalab_qe/app/configuration/advanced/magnetization/model.py b/src/aiidalab_qe/app/configuration/advanced/magnetization/model.py
@@ -64,7 +64,7 @@ def __init__(self, *args, **kwargs):
             lambda spin_type: spin_type == "collinear",
         )
 
-    def update(self, specific=""):  # noqa: ARG002
+    def _update(self, specific=""):
         if self.spin_type == "none" or not self.has_structure:
             self._defaults["moments"] = {}
         else:
diff --git a/src/aiidalab_qe/app/configuration/advanced/pseudos/model.py b/src/aiidalab_qe/app/configuration/advanced/pseudos/model.py
@@ -106,7 +106,7 @@ class PseudosConfigurationSettingsModel(
 
     include = True  # build-in panel
 
-    def update(self, specific=""):
+    def _update(self, specific=""):
         if not self.has_structure:
             return
         family = self.family
diff --git a/src/aiidalab_qe/app/configuration/advanced/pseudos/pseudos.py b/src/aiidalab_qe/app/configuration/advanced/pseudos/pseudos.py
@@ -255,7 +255,7 @@ def _on_cutoffs_change(self, change):
     def _on_ecut_change(self, _):
         self._model.update_blockers()
 
-    def _update(self):
+    def _update_ui(self):
         self._build_pseudos_list()
         self._model.update_family_header()
 
diff --git a/src/aiidalab_qe/app/configuration/advanced/smearing/model.py b/src/aiidalab_qe/app/configuration/advanced/smearing/model.py
@@ -30,7 +30,7 @@ class SmearingConfigurationSettingsModel(PanelModel):
 
     include = True  # build-in panel
 
-    def update(self, specific=""):  # noqa: ARG002
+    def _update(self, specific=""):
         parameters = (
             PwBaseWorkChain.get_protocol_inputs(self.protocol)
             .get("pw", {})
diff --git a/src/aiidalab_qe/app/configuration/model.py b/src/aiidalab_qe/app/configuration/model.py
@@ -60,9 +60,8 @@ def __init__(self, *args, **kwargs):
             </div>
         """
 
-    def update(self):
+    def _update(self, specific=""):
         self.update_relaxation_options()
-        self.update_blockers()
 
     def update_relaxation_options(self):
         if self.has_pbc:
@@ -127,7 +126,9 @@ def set_model_state(self, state: dict):
                 model.set_model_state(state[identifier])
 
     def update_state(self):
-        if self.confirmed:
+        if self.is_blocked:
+            self.state = State.BLOCKED
+        elif self.confirmed:
             self.state = State.SUCCESS
         elif self.is_previous_step_successful and self.has_all_dependencies:
             self.state = State.CONFIGURED
@@ -173,7 +174,3 @@ def _get_default_relax_type(self):
     def _check_blockers(self):
         if not self.has_structure:
             yield "No selected input structure"
-
-        for _, model in self.get_models():
-            if model.is_blocked:
-                yield from model.blockers
diff --git a/src/aiidalab_qe/app/configuration/step.py b/src/aiidalab_qe/app/configuration/step.py
@@ -197,7 +197,6 @@ def _on_tab_change(self, change):
 
     def _on_input_structure_change(self, _):
         self._model.update()
-        self._model.update_state()
 
     def _on_installed_properties_fetched(self, _):
         if not self.rendered:
diff --git a/src/aiidalab_qe/app/result/components/viewer/structure/model.py b/src/aiidalab_qe/app/result/components/viewer/structure/model.py
@@ -36,8 +36,8 @@ def is_relaxed(self):
         parameters = self.inputs.relax.base.pw.parameters.get_dict()
         return "relax" in parameters["CONTROL"]["calculation"]
 
-    def update(self):
-        super().update()
+    def _update(self, specific=""):
+        super()._update(specific)
         with self.hold_trait_notifications():
             if not self.is_relaxed or self.selected_view == "initial":
                 self.sub_header = self._SUB_HEADER_TEMPLATE.format(content="Initial")
diff --git a/src/aiidalab_qe/app/result/model.py b/src/aiidalab_qe/app/result/model.py
@@ -38,11 +38,7 @@ def is_active(self):
     def is_failed(self):
         return self.state is State.FAIL
 
-    @property
-    def is_loading(self):
-        return super().is_loading and not (self.is_active or self.is_failed)
-
-    def update(self):
+    def _update(self, specific=""):
         self._update_process_remote_folder_state()
 
     def kill_process(self):
diff --git a/src/aiidalab_qe/app/static/styles/custom.css b/src/aiidalab_qe/app/static/styles/custom.css
@@ -107,6 +107,10 @@ footer {
   background-color: var(--color-failed);
 }
 
+.p-Accordion-child:has(.qe-app-step-blocked) > .p-Collapse-header {
+  background-color: var(--color-blocked);
+}
+
 .p-TabBar-tab {
   min-width: fit-content !important;
 }
diff --git a/src/aiidalab_qe/app/static/styles/variables.css b/src/aiidalab_qe/app/static/styles/variables.css
@@ -5,6 +5,7 @@
   --color-active: #d9edf7;
   --color-success: #dff0d8;
   --color-failed: #f2dede;
+  --color-blocked: #f2dede;
   --color-info: #00bcd4;
   --color-info-dark: #0097a7;
   --color-primary: #007bff;
diff --git a/src/aiidalab_qe/app/structure/model.py b/src/aiidalab_qe/app/structure/model.py
@@ -30,7 +30,9 @@ def set_model_state(self, state: dict):
         self.structure_uuid = state.get("uuid")
 
     def update_state(self):
-        if self.confirmed:
+        if self.is_blocked:
+            self.state = State.BLOCKED
+        elif self.confirmed:
             self.state = State.SUCCESS
         elif self.structure_uuid:
             # We check the UUID directly (not using `has_structure`), as the structure
diff --git a/src/aiidalab_qe/app/structure/step.py b/src/aiidalab_qe/app/structure/step.py
@@ -194,13 +194,13 @@ def _post_render(self):
         self.manager.viewer._viewer._set_size("100%", "300px")
 
     def _on_installation_change(self, _):
-        self._model.update_blockers()
+        self._model.update()
 
     def _on_sssp_installed(self, _):
         self._toggle_sssp_installation_widget()
 
     def _on_input_structure_change(self, _):
-        self._model.update_state()
+        self._model.update()
 
     def _install_sssp(self, auto_setup):
         self.sssp_installation = PseudosInstallWidget(auto_start=False)
diff --git a/src/aiidalab_qe/app/submission/model.py b/src/aiidalab_qe/app/submission/model.py
@@ -65,11 +65,10 @@ def confirm(self):
         if not self.has_process:
             self._submit()
 
-    def update(self):
+    def _update(self, specific=""):
         self.update_process_label()
         self.update_plugin_inclusion()
         self.update_plugin_overrides()
-        self.update_blockers()
         for _, model in self.get_models():
             model.update()
 
@@ -167,11 +166,11 @@ def set_model_state(self, state: dict):
                 model.set_model_state(state[identifier])
 
     def update_state(self):
-        if self.confirmed:
+        if self.is_blocked:
+            self.state = State.BLOCKED
+        elif self.confirmed:
             self.state = State.SUCCESS
-        elif self.is_previous_step_successful and (
-            self.has_structure and self.input_parameters
-        ):
+        elif self.is_previous_step_successful and self.has_all_dependencies:
             self.state = State.CONFIGURED
         else:
             self.state = State.INIT
diff --git a/src/aiidalab_qe/app/wizard/wizard.py b/src/aiidalab_qe/app/wizard/wizard.py
@@ -21,6 +21,7 @@ class Wizard(ipw.Accordion):
         State.ACTIVE: "\u231b",
         State.SUCCESS: "\u2713",
         State.FAIL: "\u00d7",
+        State.BLOCKED: "\u25cf",
     }
 
     TITLES = {
diff --git a/src/aiidalab_qe/common/mixins.py b/src/aiidalab_qe/common/mixins.py
@@ -8,7 +8,9 @@
 from aiida import orm
 from aiida.common.exceptions import NotExistent
 from aiida_quantumespresso.data.hubbard_structure import HubbardStructureData
-from aiidalab_qe.common.mvc import Model
+
+if t.TYPE_CHECKING:
+    from aiidalab_qe.common.mvc import Model
 
 StructureType = t.Union[orm.StructureData, HubbardStructureData]
 
@@ -44,7 +46,7 @@ def get_num_atoms(self) -> int:
         return len(self.input_structure.sites) if self.has_structure else 0
 
 
-M = t.TypeVar("M", bound=Model)
+M = t.TypeVar("M", bound="Model")
 
 
 class HasModels(t.Generic[M]):
@@ -80,16 +82,14 @@ def get_models(self) -> t.Iterable[tuple[str, M]]:
         return self._models.items()
 
     def _link_model(self, model: M):
-        assert isinstance(model, Model), "HasModels only works with Model instances"
         tl.dlink(
             (self, "locked"),
             (model, "locked"),
         )
-        if isinstance(self, HasBlockers) and isinstance(model, HasBlockers):
-            tl.dlink(
-                (model, "blockers"),
-                (self, "blockers"),
-            )
+        tl.dlink(
+            (model, "blockers"),
+            (self, "blockers"),
+        )
         for dependency in model.dependencies:
             dependency_parts = dependency.rsplit(".", 1)
             if len(dependency_parts) == 1:  # from parent
@@ -173,33 +173,19 @@ def _unconfirm(self):
 
 class HasBlockers(tl.HasTraits):
     blockers = tl.List(tl.Unicode())
-    blocker_messages = tl.Unicode("")
 
     @property
     def is_blocked(self):
         return any(self.blockers)
 
     def update_blockers(self):
-        blockers = list(self._check_blockers())
+        blockers = self._check_blockers()
+        blockers = list(blockers) if blockers is not None else []
         if isinstance(self, HasModels):
             for _, model in self.get_models():
                 if isinstance(model, HasBlockers):
-                    blockers += model.blockers
+                    blockers.extend(model.blockers)
         self.blockers = blockers
 
-    def update_blocker_messages(self):
-        if self.is_blocked:
-            formatted = "\n".join(f"<li>{item}</li>" for item in self.blockers)
-            self.blocker_messages = f"""
-                <div class="alert alert-danger" style="margin-top: 8px;">
-                    <b>The step is blocked due to the following reason(s):</b>
-                    <ul>
-                        {formatted}
-                    </ul>
-                </div>
-            """
-        else:
-            self.blocker_messages = ""
-
     def _check_blockers(self):
-        raise NotImplementedError
+        pass
diff --git a/src/aiidalab_qe/common/mvc.py b/src/aiidalab_qe/common/mvc.py
diff --git a/src/aiidalab_qe/common/panel.py b/src/aiidalab_qe/common/panel.py
diff --git a/src/aiidalab_qe/common/widgets.py b/src/aiidalab_qe/common/widgets.py
diff --git a/src/aiidalab_qe/common/wizard.py b/src/aiidalab_qe/common/wizard.py
diff --git a/src/aiidalab_qe/plugins/electronic_structure/result/model.py b/src/aiidalab_qe/plugins/electronic_structure/result/model.py
diff --git a/src/aiidalab_qe/plugins/pdos/model.py b/src/aiidalab_qe/plugins/pdos/model.py

Original file line number	Diff line number	Diff line change
`@@ -64,7 +64,7 @@ def __init__(self, args, *kwargs):`
`64`	`64`	`lambda spin_type: spin_type == "collinear",`
`65`	`65`	`)`
`66`	`66`
`67`		`- def update(self, specific=""): # noqa: ARG002`
	`67`	`+ def _update(self, specific=""):`
`68`	`68`	`if self.spin_type == "none" or not self.has_structure:`
`69`	`69`	`self._defaults["moments"] = {}`
`70`	`70`	`else:`