Implement consistent step blocker system (aiidalab#1171)

This PR includes the following:
- Wizard-related widgets/models are moved to common/wizard.py
- `QeWizardStep` and corresponding model are extended by a confirmable and dependent (and both) flavors
- A new `HasBlockers` mixin is provided to encapsulate the relevant traits and functionality
- The confirmable wizard step flavor takes a confirmable wizard step model with the `Confirmable` and `HasBlockers` mixins
- Steps 1-3 are now confirmable steps
- Steps 2-4 remain dependent steps
- Steps 2-3 inherit both sets of functionality
- The SSSP installation widget is moved to step 1 and is blocking
- The QE install / code setup widget remains in step 3 and is blocking
- `HasBlockers` mixin is added to `SettingsModel` (panels in steps 2 and 3 can now block)

The design is flexible, modular, and extensible. Following the already-implemented use case of step 1, blockers could by introduced in step 2 covering invalid parameter combinations. Similarly in step 3, in addition to the QE setup blockers, additional blockers could be introduced covering invalid resource selection.

src/aiidalab_qe/app/configuration/__init__.py

@@ -6,7 +6,6 @@
 from __future__ import annotations
 
 import ipywidgets as ipw
-import traitlets as tl
 
 from aiidalab_qe.app.parameters import DEFAULT_PARAMETERS
 from aiidalab_qe.app.utils import get_entry_items
@@ -15,7 +14,7 @@
     ConfigurationSettingsModel,
     ConfigurationSettingsPanel,
 )
-from aiidalab_qe.common.widgets import QeDependentWizardStep
+from aiidalab_qe.common.wizard import QeConfirmableDependentWizardStep
 
 from .advanced import (
     AdvancedConfigurationSettingsModel,
@@ -27,14 +26,18 @@
 DEFAULT: dict = DEFAULT_PARAMETERS  # type: ignore
 
 
-class ConfigureQeAppWorkChainStep(QeDependentWizardStep[ConfigurationStepModel]):
+class ConfigureQeAppWorkChainStep(
+    QeConfirmableDependentWizardStep[ConfigurationStepModel]
+):
     missing_information_warning = "Missing input structure. Please set it first."
 
     def __init__(self, model: ConfigurationStepModel, **kwargs):
-        super().__init__(model=model, **kwargs)
-        self._model.observe(
-            self._on_confirmation_change,
-            "confirmed",
+        super().__init__(
+            model=model,
+            confirm_kwargs={
+                "tooltip": "Confirm the currently selected settings and go to the next step",
+            },
+            **kwargs,
         )
         self._model.observe(
             self._on_input_structure_change,
@@ -69,6 +72,8 @@ def __init__(self, model: ConfigurationStepModel, **kwargs):
         self._fetch_plugin_calculation_settings()
 
     def _render(self):
+        super()._render()
+
         # RelaxType: degrees of freedom in geometry optimization
         self.relax_type_help = ipw.HTML()
         ipw.dlink(
@@ -115,22 +120,7 @@ def _render(self):
         self.sub_steps.set_title(0, "Step 2.1: Select which properties to calculate")
         self.sub_steps.set_title(1, "Step 2.2: Customize calculation parameters")
 
-        self.confirm_button = ipw.Button(
-            description="Confirm",
-            tooltip="Confirm the currently selected settings and go to the next step.",
-            button_style="success",
-            icon="check-circle",
-            disabled=True,
-            layout=ipw.Layout(width="auto"),
-        )
-        ipw.dlink(
-            (self, "state"),
-            (self.confirm_button, "disabled"),
-            lambda state: state != self.State.CONFIGURED,
-        )
-        self.confirm_button.on_click(self.confirm)
-
-        self.children = [
+        self.content.children = [
             InAppGuide(identifier="configuration-step"),
             ipw.HTML("""
                 <div style="padding-top: 0px; padding-bottom: 0px">
@@ -140,28 +130,22 @@ def _render(self):
             self.relax_type_help,
             self.relax_type,
             self.sub_steps,
-            self.confirm_button,
+        ]
+
+        self.children = [
+            self.content,
+            self.confirm_box,
         ]
 
     def _post_render(self):
         self._update_tabs()
 
-    def is_saved(self):
-        return self._model.confirmed
-
-    def confirm(self, _=None):
-        self._model.confirm()
-
     def reset(self):
         self._model.reset()
         if self.rendered:
             self.sub_steps.selected_index = None
             self.tabs.selected_index = 0
 
-    @tl.observe("previous_step_state")
-    def _on_previous_step_state_change(self, _):
-        self._update_state()
-
     def _on_tab_change(self, change):
         if (tab_index := change["new"]) is None:
             return
@@ -173,9 +157,6 @@ def _on_input_structure_change(self, _):
         self._model.update()
         self.reset()
 
-    def _on_confirmation_change(self, _):
-        self._update_state()
-
     def _update_tabs(self):
         children = []
         titles = []

src/aiidalab_qe/app/configuration/model.py

@@ -6,23 +6,21 @@
 from aiida_quantumespresso.common.types import RelaxType
 from aiidalab_qe.app.parameters import DEFAULT_PARAMETERS
 from aiidalab_qe.common.mixins import (
-    Confirmable,
     HasInputStructure,
     HasModels,
 )
 from aiidalab_qe.common.panel import ConfigurationSettingsModel
-from aiidalab_qe.common.widgets import QeWizardStepModel
+from aiidalab_qe.common.wizard import QeConfirmableWizardStepModel
 
 DEFAULT: dict = DEFAULT_PARAMETERS  # type: ignore
 
 NO_RELAXATION_OPTION = ("Structure as is", "none")
 
 
 class ConfigurationStepModel(
-    QeWizardStepModel,
+    QeConfirmableWizardStepModel,
     HasModels[ConfigurationSettingsModel],
     HasInputStructure,
-    Confirmable,
 ):
     identifier = "configuration"
 

src/aiidalab_qe/app/main.py

@@ -23,14 +23,14 @@ class QeApp:
     def __init__(
         self,
         process=None,
-        qe_auto_setup=True,
+        auto_setup=True,
         bug_report_url=DEFAULT_BUG_REPORT_URL,
         show_log=False,
     ):
         """Initialize the AiiDAlab QE application with the necessary setup."""
 
         self.process = process
-        self.qe_auto_setup = qe_auto_setup
+        self.auto_setup = auto_setup
         self.log_widget = None
 
         self._load_styles()
@@ -83,7 +83,7 @@ def _load_styles(self):
     def load(self):
         """Initialize the WizardApp and integrate the app into the main view."""
         self.app = WizardApp(
-            qe_auto_setup=self.qe_auto_setup,
+            auto_setup=self.auto_setup,
             log_widget=self.log_widget,
         )
         self.view.main.children = [self.app]

src/aiidalab_qe/app/result/__init__.py

@@ -3,7 +3,8 @@
 
 from aiida.engine import ProcessState
 from aiidalab_qe.common.infobox import InAppGuide
-from aiidalab_qe.common.widgets import LoadingWidget, QeDependentWizardStep
+from aiidalab_qe.common.widgets import LoadingWidget
+from aiidalab_qe.common.wizard import QeDependentWizardStep
 from aiidalab_widgets_base import ProcessMonitor, WizardAppWidgetStep
 
 from .components import ResultsComponent

src/aiidalab_qe/app/result/model.py

@@ -7,7 +7,7 @@
 from aiida import orm
 from aiida.engine.processes import control
 from aiidalab_qe.common.mixins import HasModels, HasProcess
-from aiidalab_qe.common.widgets import QeWizardStepModel
+from aiidalab_qe.common.wizard import QeWizardStepModel
 
 from .components import ResultsComponentModel
 

src/aiidalab_qe/app/static/styles/custom.css

@@ -118,3 +118,8 @@ footer {
   padding: 0 5px;
   margin: -1px;
 }
+
+.blocker-messages .alert {
+  margin-bottom: 0;
+  padding: 10px;
+}

src/aiidalab_qe/app/structure/__init__.py

@@ -17,15 +17,16 @@
     ShakeNBreakEditor,
 )
 from aiidalab_qe.common.infobox import InAppGuide
-from aiidalab_qe.common.widgets import CategorizedStructureExamplesWidget, QeWizardStep
+from aiidalab_qe.common.widgets import CategorizedStructureExamplesWidget
+from aiidalab_qe.common.wizard import QeConfirmableWizardStep
 from aiidalab_widgets_base import (
     BasicCellEditor,
     BasicStructureEditor,
     StructureManagerWidget,
     StructureUploadWidget,
 )
 
-# The Examples list of (name, file) tuple curretly passed to
+# The Examples list of (name, file) tuple currently passed to
 # StructureExamplesWidget.
 file_path = pathlib.Path(__file__).parent
 Examples = [
@@ -39,33 +40,46 @@
 ]
 
 
-class StructureSelectionStep(QeWizardStep[StructureStepModel]):
+class StructureSelectionStep(QeConfirmableWizardStep[StructureStepModel]):
     """Integrated widget for the selection and edition of structure.
     The widget includes a structure manager that allows to select a structure
     from different sources. It also includes the structure editor. Both the
     structure importers and the structure editors can be extended by plugins.
     """
 
-    def __init__(self, model: StructureStepModel, **kwargs):
-        super().__init__(model=model, **kwargs)
+    def __init__(self, model: StructureStepModel, auto_setup=True, **kwargs):
+        super().__init__(
+            model=model,
+            confirm_kwargs={
+                "tooltip": "Confirm the currently selected structure and go to the next step",
+            },
+            **kwargs,
+        )
+        self._model.observe(
+            self._on_installation_change,
+            ["installing_sssp", "sssp_installed"],
+        )
         self._model.observe(
-            self._on_confirmation_change,
-            "confirmed",
+            self._on_sssp_installed,
+            "sssp_installed",
         )
         self._model.observe(
             self._on_input_structure_change,
             "input_structure",
         )
+        self._install_sssp(auto_setup)
 
     def _render(self):
+        super()._render()
+
         examples_by_category = {"Simple crystals": Examples}
         plugin_structure_examples = {
             item["title"]: item["structures"]
             for item in get_entry_items(
                 "aiidalab_qe.properties", "structure_examples"
             ).values()
         }
-        examples_by_category.update(plugin_structure_examples)
+        examples_by_category |= plugin_structure_examples
 
         importers = [
             StructureUploadWidget(title="Upload file"),
@@ -129,27 +143,7 @@ def _render(self):
             (self.structure_name_text, "value"),
         )
 
-        self.confirm_button = ipw.Button(
-            description="Confirm",
-            tooltip="Confirm the currently selected structure and go to the next step.",
-            button_style="success",
-            icon="check-circle",
-            layout=ipw.Layout(width="auto"),
-        )
-        ipw.dlink(
-            (self, "state"),
-            (self.confirm_button, "disabled"),
-            lambda state: state != self.State.CONFIGURED,
-        )
-        self.confirm_button.on_click(self.confirm)
-
-        self.message_area = ipw.HTML()
-        ipw.dlink(
-            (self._model, "message_area"),
-            (self.message_area, "value"),
-        )
-
-        self.children = [
+        self.content.children = [
             InAppGuide(identifier="structure-step"),
             ipw.HTML("""
                 <p>
@@ -161,33 +155,63 @@ def _render(self):
             """),
             self.manager,
             self.structure_name_text,
-            self.message_area,
-            self.confirm_button,
         ]
-        # after rendering the widget, nglview needs to be resized
+
+        self.confirm_box.children += (self.sssp_installation,)
+
+        self.children = [
+            self.content,
+            self.confirm_box,
+        ]
+
+    def _post_render(self):
+        # After rendering the widget, nglview needs to be resized
         # to properly display the structure
         self.manager.viewer._viewer.handle_resize()
 
-    def is_saved(self):
-        return self._model.confirmed
-
     def confirm(self, _=None):
         self.manager.store_structure()
-        self._model.message_area = ""
-        self._model.confirm()
+        super().confirm()
 
     def can_reset(self):
         return self._model.confirmed
 
     def reset(self):
         self._model.reset()
 
+    def _on_installation_change(self, _):
+        self._model.update_blockers()
+
+    def _on_sssp_installed(self, _):
+        self._toggle_sssp_installation_widget()
+
     def _on_input_structure_change(self, _):
         self._model.update_widget_text()
         self._update_state()
 
-    def _on_confirmation_change(self, _):
-        self._update_state()
+    def _install_sssp(self, auto_setup):
+        from aiidalab_qe.common.setup_pseudos import PseudosInstallWidget
+
+        self.sssp_installation = PseudosInstallWidget(auto_start=False)
+        ipw.dlink(
+            (self.sssp_installation, "busy"),
+            (self._model, "installing_sssp"),
+        )
+        ipw.dlink(
+            (self.sssp_installation, "installed"),
+            (self._model, "installing_sssp"),
+            lambda installed: not installed,
+        )
+        ipw.dlink(
+            (self.sssp_installation, "installed"),
+            (self._model, "sssp_installed"),
+        )
+        if auto_setup:
+            self.sssp_installation.refresh()
+
+    def _toggle_sssp_installation_widget(self):
+        sssp_installation_display = "none" if self._model.sssp_installed else "block"
+        self.sssp_installation.layout.display = sssp_installation_display
 
     def _update_state(self):
         if self._model.confirmed: