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FAIRmat-NFDI / nomad-simulations / 30541194288
87%

Build:
DEFAULT BRANCH: develop
Ran 30 Jul 2026 12:07PM UTC
Jobs 3
Files 134
Run time 1min
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30 Jul 2026 12:06PM UTC coverage: 86.861% (+0.1%) from 86.749%
30541194288

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Resolve free-form LibXC XC components; fix REVPBE alias (#440)

- `XCComponent.normalize` completes a directly-supplied component from the LibXC registry, keyed by `canonical_label` or (as a fallback) `libxc_id`: fills `libxc_id`/`display_name`/`family`/`kind`, canonicalizes the label, and leaves `weight` to the parser. `DFT.jacobs_ladder` derives from the components.
- Add `XCComponent.unidentified`: a component the registry cannot resolve is kept as a marked placeholder rather than dropped, and the flag is cleared once it resolves.
- Fix the `REVPBE` alias (`XC_GGA_X_RPBE` -> `XC_GGA_X_PBE_R`); revPBE is Zhang-Yang, distinct from `RPBE`.
- Add a `VWN-RPA` alias (`XC_LDA_C_VWN_RPA`) so the RPA VWN variant is not collapsed onto VWN5.

59 of 59 new or added lines in 2 files covered. (100.0%)

10002 of 11515 relevant lines covered (86.86%)

2.61 hits per line

Jobs
ID Job ID Ran Files Coverage
1 30541194288.1 30 Jul 2026 12:07PM UTC 134
86.86
GitHub Action Run
2 30541194288.2 30 Jul 2026 12:07PM UTC 134
86.86
GitHub Action Run
3 30541194288.3 30 Jul 2026 12:08PM UTC 134
86.86
GitHub Action Run
Source Files on build 30541194288
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  • Changed 3
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  • Coverage Changed 3
Coverage ∆ File Lines Relevant Covered Missed Hits/Line
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