28899438520
76%
develop: 77%

Ran 07 Jul 2026 09:23PM UTC

Jobs 1

Files 97

Run time 1min

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Committed 07 Jul 2026 09:18PM UTC coverage: 73.753% (-0.3%) from 74.09%

Build # 28899438520

Build Type

Pull #170

github

Committed by

ndaelman-hu

Commit Message

Map VASP XML electronic payloads per calculation; fix Yambo and Wannier90 wiring

- VASP XML: remove the cross-calculation fallback (_resolve_electronic_source);
  get_eigenvalues, get_band_gaps, and get_total_dos now operate strictly on the
  calculation subtree passed via the mapping annotation. Electronic payloads
  land only on the output whose calculation carries them.
- Yambo: propagate highest_occupied onto each eigenvalues entry so the mapped
  band-structure sections receive the reference energy.
- Wannier90: only include k_path in the band-structure payload when the win
  file provides one, avoiding a None entry.
- Update VASP and Yambo tests to the per-calculation semantics.

Pull Request Pull Request #170: Migration of fundamental system and electronic properties for normalization to results

Coverage Stats

1362 of 1972 new or added lines in 40 files covered. (69.07%)

25 existing lines in 9 files now uncovered.

8930 of 12108 relevant lines covered (73.75%)

0.74 hits per line

Uncovered Changes

Lines	Coverage	∆	File
106	60.93	-17.15%	src/nomad_simulation_parsers/parsers/quantumespresso/pwscf/parser.py
70	71.6	-10.72%	src/nomad_simulation_parsers/parsers/vasp/xml_parser.py
69	71.91	-13.05%	src/nomad_simulation_parsers/parsers/exciting/parser.py
39	58.9	-6.16%	src/nomad_simulation_parsers/parsers/octopus/parser.py
33	75.56	-24.44%	tests/parsers/test_exciting_parser.py
30	64.93	-7.73%	src/nomad_simulation_parsers/parsers/ams/parser.py
30	9.09		src/nomad_simulation_parsers/parsers/vasp/common.py
28	74.77	-25.23%	tests/parsers/test_ams_parser.py
27	82.69	-17.31%	tests/parsers/test_quantumespresso_parser.py
24	67.12	-32.88%	tests/parsers/test_octopus_parser.py
21	75.29	-24.71%	tests/parsers/test_gpaw_parser.py
19	83.51	8.3%	src/nomad_simulation_parsers/parsers/vasp/outcar_parser.py
17	74.55	1.55%	src/nomad_simulation_parsers/parsers/crystal/parser.py
15	39.81	15.78%	src/nomad_simulation_parsers/parsers/yambo/parser.py
15	88.37	-11.63%	tests/parsers/test_wannier90_parser.py
12	70.05	-4.51%	src/nomad_simulation_parsers/parsers/gpaw/gpw_parser.py
10	87.97	-5.29%	src/nomad_simulation_parsers/parsers/gpaw/parser.py
10	93.1	-6.9%	tests/parsers/test_vasp_parser.py
9	54.71	1.05%	src/nomad_simulation_parsers/parsers/quantumespresso/parser.py
8	87.83	-2.94%	tests/parsers/test_abinit_parser.py
6	92.11	-7.89%	tests/parsers/test_crystal_parser.py
4	86.42	2.65%	src/nomad_simulation_parsers/parsers/abinit/parser.py
3	82.61	13.56%	src/nomad_simulation_parsers/parsers/utils/general.py
2	85.15	0.3%	src/nomad_simulation_parsers/parsers/h5md/parser.py
2	81.54	1.54%	src/nomad_simulation_parsers/parsers/wannier90/parser.py
1	52.55	4.56%	src/nomad_simulation_parsers/parsers/fhiaims/parser.py

Coverage Regressions

Lines	Coverage	∆	File
9	64.93	-7.73%	src/nomad_simulation_parsers/parsers/ams/parser.py
6	54.71	1.05%	src/nomad_simulation_parsers/parsers/quantumespresso/parser.py
3	87.83	-2.94%	tests/parsers/test_abinit_parser.py
2	71.6	-10.72%	src/nomad_simulation_parsers/parsers/vasp/xml_parser.py
1	74.55	1.55%	src/nomad_simulation_parsers/parsers/crystal/parser.py
1	71.91	-13.05%	src/nomad_simulation_parsers/parsers/exciting/parser.py
1	58.9	-6.16%	src/nomad_simulation_parsers/parsers/octopus/parser.py
1	60.93	-17.15%	src/nomad_simulation_parsers/parsers/quantumespresso/pwscf/parser.py
1	39.81	15.78%	src/nomad_simulation_parsers/parsers/yambo/parser.py

Jobs

ID	Job ID	Ran	Files	Coverage
1	28899438520.1	07 Jul 2026 09:23PM UTC	97	73.75	GitHub Action Run

FAIRmat-NFDI / nomad-parser-plugins-simulation / 28899438520
76%
develop: 77%

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FAIRmat-NFDI / nomad-parser-plugins-simulation / 28899438520 76% develop: 77%

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Markdown

Textile

RDoc

HTML

Rst

Uncovered Changes

Coverage Regressions

Jobs

Source Files on build 28899438520

FAIRmat-NFDI / nomad-parser-plugins-simulation / 28899438520
76%
develop: 77%

README BADGES
x