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FAIRmat-NFDI / nomad-parser-plugins-simulation
67%
develop: 71%

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LAST BUILD BRANCH: refactor/idiomatic-vasp-pseudopotential-parsing
DEFAULT BRANCH: develop
Repo Added 09 Apr 2025 09:33AM UTC
Token JAni5cpvDf7CISjpzEyKbRjdj9qvkxp7M regen
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24 Feb 2026 02:05PM UTC coverage: 66.742% (-2.8%) from 69.547%
22354272555

Pull #144

github

ndaelman-hu
Apply ruff formatting fixes from merge
Pull Request #144: Refactor VASP pseudopotential parsing to use declarative mapping annotations

88 of 110 new or added lines in 7 files covered. (80.0%)

476 existing lines in 13 files now uncovered.

5338 of 7998 relevant lines covered (66.74%)

0.67 hits per line

Relevant lines Covered
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7998 RELEVANT LINES 5338 COVERED LINES
0.67 HITS PER LINE
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Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
22354272555 refactor/idiomatic-vasp-pseudopotential-parsing Apply ruff formatting fixes from merge Pull #144 24 Feb 2026 02:07PM UTC ndaelman-hu github
66.74
22353432580 develop Gromacs parse system hierarchy (#153) * Fixed Ruff complaint * Fixed failing test/skipping tests until update of test data * Added creation and parsing of system hierarchy * Fixed system hierarchy not being fully parsed, added tests/data/prote... push 24 Feb 2026 01:48PM UTC web-flow github
70.93
22352691604 gromacs_parse_system_hierarchy Pruned water trajectories to reduce test time Pull #153 24 Feb 2026 01:26PM UTC Bernadette-Mohr github
70.93
22350708503 refactor/idiomatic-vasp-pseudopotential-parsing Move imports to module level (PLC0415 fix) Fix PLC0415 'import should be at top-level of a file' errors: - Move Quantity, TextParser, MappingTextParser imports to top of xml_parser.py - Move potcar_quantities import to top level - Move numpy and ... Pull #144 24 Feb 2026 12:27PM UTC ndaelman-hu github
67.04
22350261786 gromacs_parse_system_hierarchy Added negation exeption for test data log files to gitignore Pull #153 24 Feb 2026 12:22PM UTC Bernadette-Mohr github
70.93
22350283344 refactor/idiomatic-vasp-pseudopotential-parsing Fix ruff check issues (E501 line too long) Changes: - Extract POTCAR regex pattern to module-level constant - Break long log messages and comments to fit 88 char limit - Auto-format multiline function calls and annotations - Remove unused import ... Pull #144 24 Feb 2026 12:15PM UTC ndaelman-hu github
67.05
22349963778 develop Fix QE parser error (#154) * resolve ruff PLC0207 by limiting split operations to one split each * tighten behavior push 24 Feb 2026 12:05PM UTC web-flow github
69.55
22349717127 refactor/idiomatic-vasp-pseudopotential-parsing Fix duplicate Pseudopotentials after PP_OUT merge Problem: After PP_OUT merge pass, duplicate pseudopotentials appeared (e.g., two Ac entries when only one expected). Root Cause: OUTCAR has different element ordering than vasprun.xml: - OUTCAR P... Pull #144 24 Feb 2026 11:57AM UTC ndaelman-hu github
67.04
22347687198 fix-qe-ruff-error tighten behavior Pull #154 24 Feb 2026 10:56AM UTC EBB2675 github
69.55
22347371163 gromacs-parser_results Gromacs parser model method (#130) * docs: Add parser testing strategy discussion paper * fixed code highlighting syntax * Added method/force field parameter parsing * removed unneccessary docs page * ForceField.contributions not added to arc... push 24 Feb 2026 10:47AM UTC web-flow github
69.55
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