29028991462
99%

Ran 09 Jul 2026 03:21PM UTC

Jobs 1

Files 3

Run time 1min

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Committed 09 Jul 2026 03:18PM UTC coverage: 99.007% (-0.6%) from 99.558%

Build # 29028991462

Build Type

push

github

Committed by

web-flow

Commit Message

Migrate PES computation onto aalto-boss's Mesh API (#75)

Replace the hand-rolled query-grid construction in _compute_pes with
boss.pp.mesh.Mesh, the data-level API from aalto-boss's 1.14
postprocessing refactor, and bump the pin to aalto-boss>=1.15.1.

- Mesh builds the 2D slice grid (0-based active_dims, removing the
  pp_model_slice +/-1 hazard that broke the old PPMain path) and fixes
  the non-slice dimensions to the global minimum via
  fix_dim_preset('min') (== select('x_glmin')).
- evaluate_func evaluates model.predict on the grid; passing predict
  whole yields mean and variance in a single pass.
- Output is byte-identical to the previous implementation on
  tests/data/boss.rst (fit, uncertainty, and axes all array_equal),
  verified against a reference captured from aalto-boss 1.12.0.
- The GPy scipy<=1.12 constraint (and downstream pymatgen<2025.10.7 pin)
  is unchanged; the bump adds a transitive matplotlib<3.9 constraint.

Coverage Stats

299 of 302 relevant lines covered (99.01%)

0.99 hits per line

Coverage Regressions

Lines	Coverage	∆	File
3	98.48	-0.73%	tests/schema_packages/test_schema_package.py

Jobs

ID	Job ID	Ran	Files	Coverage
1	29028991462.1	09 Jul 2026 03:21PM UTC	3	99.01	GitHub Action Run

FAIRmat-NFDI / nomad-parser-plugin-boss / 29028991462
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