Step enhancement (prelim) - #1424
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edan-bainglass merged 16 commits intoFeb 14, 2026
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@mikibonacci in effort of simplifying the review process for #1400, I will be breaking it down into smaller, focused PRs - each with a minimal scope for ease of review. Hope it helps! This is the first. |
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Codecov Report❌ Patch coverage is Additional details and impacted files@@ Coverage Diff @@
## image-fix-pip #1424 +/- ##
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+ Coverage 72.17% 72.32% +0.15%
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Files 108 112 +4
Lines 7263 7249 -14
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+ Hits 5242 5243 +1
+ Misses 2021 2006 -15
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The `is_relaxed` check was only checking if "relax" is in the input properties. However, we also use "relax" for SCF runs in the absence of other properties. It is necessary to also check that indeed the calculation type (in the CONTROL namespace) is "relax" or "vc-relax".
…1439) We were only setting active eigenvalues, missing the unset -1 values in the eigenvalues array. This leads to the misshape. This PR corrects the logic in `set_active_eigenvalues` to ensure all values, set or unset, are represented. --------- Co-authored-by: Edan Bainglass <edan.bainglass@gmail.com>
The widget behaves quite upredictably. For versions of ipywidgets it fails to show the content and prevents other widgets from being loaded.
* For the PP plugin, there is no associated PW calculation to complete the summary report. Therefore, the hardcoded entry has been removed for the PP plugin. --------- Co-authored-by: Edan Bainglass <edan.bainglass@gmail.com>
The app currently depends on the latest AWB, which may break due to the ongoing migration to ipywidgets 8. Version 2.5.0 includes the required feature and provides a stable dependency.
Bump version v25.08.1 -> v26.01.0
…load Update archive downloader w.r.t changes in aiida-core. We no longer check via an import, instead checking if the `.dump` method exists on the node.
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@mikibonacci this is one of the several PRs on which #1429 is rebased. Let's get these reviewed and merged quickly. Should be easy, as you've already seen these as part of reviewing #1429 🙏🙏🙏 |
aiidalab#1425 changed the widget wrapping the logo causing the CSS class to break. This PR updates the class to accomplish the same image centering.
Add QE app article citation to home app container, app about section, app docs landing page, and app repo README.
This PR resolves circular dependencies caused by placing common things inside the app package, e.g., parameters, entry point utilities, etc.
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Hadn't noticed that this was being PR'd into another branch, not |
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Based on #1337
This PR serves as preliminary work to an overall wizard-step improvement work. It does the following:
DON'T SQUASH-MERGE 🙏
The refactor to step.py files is done in two commits - the first renames the init.py files to step.py, and the second reintroduces the __init__.py files. We MUST merge both (don't squash merge) to ensure history tracking.