28787361077
76%
develop: 77%

Ran 06 Jul 2026 11:17AM UTC

Jobs 1

Files 96

Run time 1min

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Committed 06 Jul 2026 11:12AM UTC coverage: 73.608% (-0.5%) from 74.09%

Build # 28787361077

Build Type

Pull #170

github

Committed by

ndaelman-hu

Commit Message

Address review feedback on AMS and ABINIT parsers

- ABINIT: pass `dataset[0].x_abinit_vprim` as transformer argument to
  `get_periodic_boundary_conditions` instead of reading
  `self.data_object` inside the function
- AMS: simplify `get_periodic_boundary_conditions`: hoist the
  non-periodic default, use `hasattr` for pint magnitudes, drop the
  defensive try/except blocks around `np.asarray` and the always-int
  `n_vectors`
- AMS: rely on the shared default `occupation_threshold` of
  `calculate_band_gap_from_occupations`

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

Coverage Stats

1352 of 1963 new or added lines in 39 files covered. (68.87%)

25 existing lines in 9 files now uncovered.

8950 of 12159 relevant lines covered (73.61%)

0.74 hits per line

Uncovered Changes

Lines	Coverage	∆	File
105	60.88	-17.19%	src/nomad_simulation_parsers/parsers/quantumespresso/pwscf/parser.py
68	72.8	-12.16%	src/nomad_simulation_parsers/parsers/exciting/parser.py
59	74.55	-7.76%	src/nomad_simulation_parsers/parsers/vasp/xml_parser.py
34	71.34	-3.88%	src/nomad_simulation_parsers/parsers/vasp/outcar_parser.py
33	61.86	-3.19%	src/nomad_simulation_parsers/parsers/octopus/parser.py
33	74.02	-25.98%	tests/parsers/test_exciting_parser.py
30	64.93	-7.73%	src/nomad_simulation_parsers/parsers/ams/parser.py
28	74.77	-25.23%	tests/parsers/test_ams_parser.py
27	82.69	-17.31%	tests/parsers/test_quantumespresso_parser.py
24	48.94	-51.06%	src/nomad_simulation_parsers/parsers/vasp/parser.py
24	67.12	-32.88%	tests/parsers/test_octopus_parser.py
22	38.5	14.48%	src/nomad_simulation_parsers/parsers/yambo/parser.py
21	75.29	-24.71%	tests/parsers/test_gpaw_parser.py
19	73.89	0.89%	src/nomad_simulation_parsers/parsers/crystal/parser.py
18	82.98	-10.28%	src/nomad_simulation_parsers/parsers/gpaw/parser.py
15	88.37	-11.63%	tests/parsers/test_wannier90_parser.py
10	93.1	-6.9%	tests/parsers/test_vasp_parser.py
9	54.83	1.16%	src/nomad_simulation_parsers/parsers/quantumespresso/parser.py
8	87.83	-2.94%	tests/parsers/test_abinit_parser.py
7	81.0	1.0%	src/nomad_simulation_parsers/parsers/wannier90/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
4	73.03	-1.53%	src/nomad_simulation_parsers/parsers/gpaw/gpw_parser.py
2	82.56	13.51%	src/nomad_simulation_parsers/parsers/utils/general.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	54.83	1.16%	src/nomad_simulation_parsers/parsers/quantumespresso/parser.py
3	87.83	-2.94%	tests/parsers/test_abinit_parser.py
2	74.55	-7.76%	src/nomad_simulation_parsers/parsers/vasp/xml_parser.py
1	73.89	0.89%	src/nomad_simulation_parsers/parsers/crystal/parser.py
1	72.8	-12.16%	src/nomad_simulation_parsers/parsers/exciting/parser.py
1	61.86	-3.19%	src/nomad_simulation_parsers/parsers/octopus/parser.py
1	60.88	-17.19%	src/nomad_simulation_parsers/parsers/quantumespresso/pwscf/parser.py
1	38.5	14.48%	src/nomad_simulation_parsers/parsers/yambo/parser.py

Jobs

ID	Job ID	Ran	Files	Coverage
1	28787361077.1	06 Jul 2026 11:17AM UTC	96	73.61	GitHub Action Run

FAIRmat-NFDI / nomad-parser-plugins-simulation / 28787361077
76%
develop: 77%

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Uncovered Changes

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FAIRmat-NFDI / nomad-parser-plugins-simulation / 28787361077 76% develop: 77%

README BADGES x

Markdown

Textile

RDoc

HTML

Rst

Uncovered Changes

Coverage Regressions

Jobs

Source Files on build 28787361077

FAIRmat-NFDI / nomad-parser-plugins-simulation / 28787361077
76%
develop: 77%

README BADGES
x