Fix blockers system by edan-bainglass · Pull Request #1513 · aiidalab/aiidalab-qe

edan-bainglass · 2026-05-22T14:48:09Z

This PR fixes various issues with the blockers system. It also extends the mechanism to all models, for furture support.
In passing, the PR fixes a few inconsistencies with state handling and component updating.

For context, a blocking system was introduced a while back to the app to allow blocking wizard steps for any given reason. For example, the submission step is blocked if QE or its codes are still being installed. Since, the system was expanded in the configuration step to block for unreasonable configuration. This is implemented in a way that allows each panel model to define its own blocker(s). However, the system was incomplete, evident by various inconsistencies and bugs discovered along the way. This PR aims to resolve these issues, as well as introduce BLOCKED as a new actionable wizard step state, so that we can better track blocking events.

codecov · 2026-05-22T14:54:15Z

Codecov Report

❌ Patch coverage is 93.75000% with 5 lines in your changes missing coverage. Please review.
✅ Project coverage is 75.26%. Comparing base (dc0ae7d) to head (d8b8b03).

Files with missing lines	Patch %	Lines
src/aiidalab_qe/common/mixins.py	71.42%	4 Missing ⚠️
src/aiidalab_qe/app/configuration/model.py	75.00%	1 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main    #1513      +/-   ##
==========================================
- Coverage   75.35%   75.26%   -0.10%     
==========================================
  Files         115      115              
  Lines        7378     7381       +3     
==========================================
- Hits         5560     5555       -5     
- Misses       1818     1826       +8

Flag	Coverage Δ
python-3.12	`75.26% <93.75%> (-0.10%)`	⬇️
python-3.9	`75.29% <93.75%> (-0.10%)`	⬇️

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edan-bainglass · 2026-05-30T09:36:50Z

    include = True  # build-in panel

-    def update(self, specific=""):
+    def _update(self, specific=""):


This is a breaking change that has already been addressed in the only plugin that used it (aiidaplugins/aiida-qe-xspec#37)

If this method is being used in the plugins, why make it private?

edan-bainglass · 2026-05-30T09:37:00Z

        self._toggle_eigenvalues_widget()

-    def _update(self):
+    def _update_ui(self):


Same comment as above

edan-bainglass · 2026-05-30T09:56:05Z

+        if self.is_blocked:
+            self.state = State.BLOCKED


Blocking a step is now an official state we can react to. We use this to also change the color of a blocked step to red (same as failed) to better alert the user of a blocking issue.

edan-bainglass · 2026-05-30T09:57:23Z

                else:
                    info.value = ""
-                model.update()
+                panel.refresh()


Instead of just triggering a model update, we trigger a full panel refresh, which unlinks any widgets before updating the model, so that in case a model update triggers a UI update, we don't end up with orphan links.

edan-bainglass · 2026-05-30T09:58:54Z

+        tl.dlink(
+            (model, "blockers"),
+            (self, "blockers"),
+        )


HasBlockers is now placed on the root Model, so any Model can be blocked. Hence, there is no longer a need to check this on a given model.

edan-bainglass · 2026-05-30T10:03:22Z


    def update_blockers(self):
-        blockers = list(self._check_blockers())
+        blockers = list(self._check_blockers() or [])


_check_blockers yields str blockers, or None if no blockers are yielded. The latter scenario cannot be used in list, so we guard here with or []. list([]) is just [] 👍

edan-bainglass · 2026-05-30T10:06:47Z

+    def reset_blockers(self):
+        self.blockers = []
+        if isinstance(self, HasModels):
+            for _, model in self.get_models():
+                if isinstance(model, HasBlockers):
+                    model.reset_blockers()


In general good to have a reset for the blockers register, but more practically, this is used when refreshing panels.

edan-bainglass · 2026-05-30T10:07:20Z

+class Model(
+    tl.HasTraits,
+    HasBlockers,
+    metaclass=MetaHasTraitsLast,
+):


Extending the blocking mecahnism to all models!

edan-bainglass · 2026-05-30T10:08:22Z

-    `updated` : `bool`
-        Whether the model has been updated.


Unused, but also overcomplicates things at minimal-to-no gain.

edan-bainglass · 2026-05-30T10:09:22Z

+        if self.locked or specific == "widgets":
+            return
+        self._update(specific)
+        self.update_blockers()
+        self.update_state()
+
+    def update_state(self):
+        """Update the model state."""


Generalizing the concept of refreshing a model at the root Model level.

edan-bainglass · 2026-05-30T10:10:09Z

+    def _update(self, specific=""):
+        """Internal method to update the model."""
+        pass


Within the generalization, this allows each specific Model subclass to define what it means by "updating", in addition to the general part.

edan-bainglass · 2026-05-30T10:10:57Z

        super().__init__(*args, **kwargs)


-CSM = t.TypeVar("CSM", bound=ConfigurationSettingsModel)


Missed this in a previous PR deprecating ConfigurationSettingsModel

edan-bainglass · 2026-05-30T10:11:40Z

+    def update_blockers(self):
+        if self.include:
+            super().update_blockers()


For PanelModel instances, we want to update the blocking system ONLY if the panel is included.

edan-bainglass · 2026-05-30T10:13:31Z


 [tool.ruff.lint]
-ignore = ["E501", "E402", "TRY003", "RUF012", "N806"]
+ignore = ["ARG002", "E501", "E402", "TRY003", "RUF012", "N806"]


ARG002 to avoid ruff complaining about the often unused specific argument of update

edan-bainglass · 2026-05-30T10:14:24Z

@AndresOrtegaGuerrero just finished a self-review. Hope it helps you review this medium PR 🙂 Happy to answer any questions 🙏

danielhollas

Just had a quick look, seems reasonable, but I am not really familiar with the current QeApp codebase.

yakutovicha

We discussed the PR in a call, the changes make sense to me.

To prevent users from submitting calculations with unconfigured codes, we filter them out. However, this SHOULD NOT happen when loading a process, since the user cannot submit in that state. But it was, so step 3 was emitting blockers due to unselected codes. Prior to #1513, the blockers didn't do their job of blocking the step, but now they do. So if someone loads the app from a process that was run by someone else (e.g., a downloaded example), step 3 is blocked and step 4 never loads. This PR adds a `filter_codes_for_user` flag injected through the resources refresh mechanism that is generally `True` but set to `False` if we're loading a process. In addition, the PR relaxes default code handling, falling back on the first available code option if the default code does not exist. Finally, the PR removes the blocking of step 3 w.r.t the local QE installation status, since users should still be allowed to proceed with remote submission.

edan-bainglass force-pushed the fix-blockers branch from 548b751 to 83e8834 Compare May 22, 2026 15:24

edan-bainglass mentioned this pull request May 22, 2026

Fix bugs in pseudopotentials panel #1504

Merged

edan-bainglass requested a review from AndresOrtegaGuerrero May 30, 2026 09:34

edan-bainglass commented May 30, 2026

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edan-bainglass added 2 commits May 30, 2026 11:54

Fix blocker system

2d09d08

Adjust blocker system further

c925406

edan-bainglass force-pushed the fix-blockers branch from 03c071d to c925406 Compare May 30, 2026 09:54

edan-bainglass commented May 30, 2026

View reviewed changes

Simplify update_blockers logic

d8b8b03

edan-bainglass commented May 30, 2026

View reviewed changes

danielhollas reviewed Jun 1, 2026

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edan-bainglass requested a review from yakutovicha June 1, 2026 12:03

yakutovicha approved these changes Jun 2, 2026

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edan-bainglass merged commit c5645aa into aiidalab:main Jun 2, 2026
9 checks passed

edan-bainglass mentioned this pull request Jun 5, 2026

Fix code loading bug #1519

Merged

		super().__init__(args, *kwargs)


		CSM = t.TypeVar("CSM", bound=ConfigurationSettingsModel)

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edan-bainglass May 30, 2026 • edited Loading Uh oh! There was an error while loading. Please reload this page.

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edan-bainglass commented May 30, 2026

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edan-bainglass commented May 22, 2026 •

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