Fix resource setup widget bugs (#661)

- Add additional guards for missing code setup input
- Disable quick setup button if missing any requisites
- Apply uniqueness to missing template variables warning
- Make `ResourceSetupBaseWidget` "public"
- Fix code full label uniqueness check

Note that the fix in the query that looks for existing codes is a hack due to a potential bug in aiida-core. See aiidateam/aiida-core#6687.

aiidalab_widgets_base/computational_resources.py

@@ -119,7 +119,7 @@ def __init__(
             children.append(self._setup_new_code_output)
 
             # Computer/code setup
-            self.resource_setup = _ResourceSetupBaseWidget(
+            self.resource_setup = ResourceSetupBaseWidget(
                 default_calc_job_plugin=self.default_calc_job_plugin,
                 enable_quick_setup=enable_quick_setup,
                 enable_detailed_setup=enable_detailed_setup,
@@ -1193,6 +1193,13 @@ def on_setup_code(self, _=None):
         with self.setup_code_out:
             clear_output()
 
+            if not self.label.value:
+                self.message = wrap_message(
+                    "Please provide a code label.",
+                    MessageLevel.WARNING,
+                )
+                return False
+
             if not self.computer.value:
                 self.message = wrap_message(
                     "Please select an existing computer.",
@@ -1229,7 +1236,7 @@ def on_setup_code(self, _=None):
             qb = orm.QueryBuilder()
             qb.append(orm.Computer, filters={"uuid": computer.uuid}, tag="computer")
             qb.append(
-                orm.AbstractCode,
+                orm.Code,
                 with_computer="computer",
                 filters={"label": kwargs["label"]},
             )
@@ -1612,7 +1619,7 @@ def _on_template_variable_filled(self, _):
         self.fill()
 
 
-class _ResourceSetupBaseWidget(ipw.VBox):
+class ResourceSetupBaseWidget(ipw.VBox):
     """The widget that allows to setup a computer and code.
     This is the building block of the `ComputationalResourcesDatabaseWidget` which
     will be directly used by the user.
@@ -1659,6 +1666,11 @@ def __init__(
             default_calc_job_plugin=default_calc_job_plugin,
             show_reset_button=False,
         )
+        ipw.dlink(
+            (self.comp_resources_database, "configured"),
+            (self.quick_setup_button, "disabled"),
+            lambda configured: not configured,
+        )
 
         # All templates
         self.template_computer_setup = TemplateVariablesWidget()
@@ -1877,14 +1889,22 @@ def _on_quick_setup(self, _=None):
             )
             return
 
+        # Raise error if the code is not selected.
+        if not self.comp_resources_database.code_selector.value:
+            self.message = wrap_message(
+                "Please select a code from the database.",
+                MessageLevel.ERROR,
+            )
+            return
+
         # Check if all the template variables are filled.
         # If not raise a warning and return (skip the setup).
         if (
             unfilled_variables := self.template_computer_setup.unfilled_variables
             + self.template_computer_configure.unfilled_variables
             + self.template_code.unfilled_variables
         ):
-            var_warn_message = ", ".join([f"<b>{v}</b>" for v in unfilled_variables])
+            var_warn_message = ", ".join({f"<b>{v}</b>" for v in unfilled_variables})
             self.message = wrap_message(
                 f"Please fill the template variables: {var_warn_message}",
                 MessageLevel.WARNING,

aiidalab_widgets_base/databases.py

@@ -234,6 +234,8 @@ class ComputationalResourcesDatabaseWidget(ipw.VBox):
     computer_configure = tl.Dict()
     code_setup = tl.Dict()
 
+    configured = tl.Bool(False)
+
     STYLE = {"description_width": "180px"}
     LAYOUT = {"width": "400px"}
 
@@ -413,6 +415,8 @@ def _computer_changed(self, change=None):
             self.computer_setup = computer_setup
             self.computer_configure = computer_configure
 
+        self._set_configured()
+
     def _code_changed(self, change=None):
         """Update code settings."""
         if change["new"] is None:
@@ -430,3 +434,9 @@ def _code_changed(self, change=None):
             .get("codes", {})
             .get(selected_code, {})
         )
+
+        self._set_configured()
+
+    def _set_configured(self):
+        """Update state of the widget."""
+        self.configured = all((self.computer_setup, self.code_setup))

aiidalab_widgets_base/utils/__init__.py

@@ -213,7 +213,7 @@ def wrap_message(message, level=MessageLevel.INFO):
     # The message is wrapped into a div with the class "alert" and the icon of the given level
     return f"""
         <div class="alert alert-{level.value}" role="alert" style="margin-bottom: 0px; padding: 6px 12px;">
-            <i class="fa fa-{mapping[level]}"></i>{message}
+            <i class="fa fa-{mapping[level]}"></i> {message}
         </div>
     """
 

tests/test_computational_resources.py

@@ -7,7 +7,7 @@
 from aiidalab_widgets_base import computational_resources
 from aiidalab_widgets_base.computational_resources import (
     ComputationalResourcesWidget,
-    _ResourceSetupBaseWidget,
+    ResourceSetupBaseWidget,
 )
 
 HTML_TAG_CLEANER = re.compile(r"<[^>]*>")
@@ -496,11 +496,11 @@ def test_template_variables_widget_help_text_disappear_if_no_template_str():
 def test_resource_setup_widget_default():
     """Test the _ResourceSetupBaseWidget."""
     with pytest.raises(ValueError):
-        w = _ResourceSetupBaseWidget(
+        w = ResourceSetupBaseWidget(
             enable_detailed_setup=False, enable_quick_setup=False
         )
 
-    w = _ResourceSetupBaseWidget()
+    w = ResourceSetupBaseWidget()
 
     # Test message is update correctly. By click setup button without filling in any information.
     w._on_quick_setup()
@@ -587,7 +587,7 @@ def test_resource_setup_widget_for_password_configure(monkeypatch, tmp_path):
     # monkeypatch home so the ssh key is generated in the temporary directory
     monkeypatch.setenv("HOME", str(tmp_path))
 
-    w = _ResourceSetupBaseWidget()
+    w = ResourceSetupBaseWidget()
 
     # Test select a new resource setup will update the output interface (e.g. ssh_config, computer_setup, code_setup)
     # and the computer/code setup widget will be updated accordingly.
@@ -654,7 +654,7 @@ def test_resource_setup_widget_for_password_configure(monkeypatch, tmp_path):
 @pytest.mark.usefixtures("aiida_profile_clean")
 def test_resource_setup_widget_computer_change_code_reset():
     """Test the _ResourceSetupBaseWidget that when computer template changed, the code selector widget is reset."""
-    w = _ResourceSetupBaseWidget()
+    w = ResourceSetupBaseWidget()
 
     # Test select a new resource setup will update the output interface (e.g. ssh_config, computer_setup, code_setup)
     # and the computer/code setup widget will be updated accordingly.
@@ -673,7 +673,7 @@ def test_resource_setup_widget_computer_change_code_reset():
 
 def test_resource_setup_widget_detailed_setup():
     """Detail branch test of the resource setup widget"""
-    w = _ResourceSetupBaseWidget()
+    w = ResourceSetupBaseWidget()
 
     w.comp_resources_database.domain_selector.value = "daint.cscs.ch"
     w.comp_resources_database.computer_selector.value = "mc"