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FAIRmat-NFDI / nomad-parser-plugins-simulation
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develop: 74%

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Repo Added 09 Apr 2025 09:33AM UTC
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LAST BUILD ON BRANCH refactor/idiomatic-vasp-pseudopotential-parsing
branch: refactor/idiomatic-vasp-pseudopotential-parsing
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24 Mar 2026 10:35AM UTC coverage: 71.058% (+0.1%) from 70.919%
23485291974

Pull #144

github

ndaelman-hu
Fix ruff linting issues after develop merge

- Split long regex patterns across multiple lines
- Add noqa comments for justified PLC0415 (imports inside function)
- Remove unused import in test_vasp_parser.py
- Fix import formatting

All VASP parser tests still pass (2 tests).
Pull Request #144: Refactor VASP pseudopotential parsing to use declarative mapping annotations

67 of 75 new or added lines in 4 files covered. (89.33%)

6440 of 9063 relevant lines covered (71.06%)

0.71 hits per line

Relevant lines Covered
Build:
Build:
9063 RELEVANT LINES 6440 COVERED LINES
0.71 HITS PER LINE
Source Files on refactor/idiomatic-vasp-pseudopotential-parsing
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Coverage ∆ File Lines Relevant Covered Missed Hits/Line

Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
23485291974 refactor/idiomatic-vasp-pseudopotential-parsing Fix ruff linting issues after develop merge - Split long regex patterns across multiple lines - Add noqa comments for justified PLC0415 (imports inside function) - Remove unused import in test_vasp_parser.py - Fix import formatting All VASP pars... Pull #144 24 Mar 2026 10:44AM UTC ndaelman-hu github
71.06
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
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
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
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
21887280082 refactor/idiomatic-vasp-pseudopotential-parsing Fix pseudopotential parsing to extract both atom types from vasprun.xml The PP_XML annotation now successfully extracts all pseudopotentials from the vasprun.xml atominfo array structure. Previously, only one pseudopotential was parsed for files ... Pull #144 11 Feb 2026 12:07AM UTC ndaelman-hu github
67.03
21752650839 refactor/idiomatic-vasp-pseudopotential-parsing Parse only POTCAR metadata from OUTCAR when supplementing vasprun.xml When vasprun.xml is the mainfile, OUTCAR now only supplements pseudopotential metadata (SHA256, LPAW, LULTRA, ENMAX, etc.) instead of parsing all data. This avoids redundant pa... Pull #144 06 Feb 2026 01:45PM UTC ndaelman-hu github
67.0
21668005214 refactor/idiomatic-vasp-pseudopotential-parsing Apply ruff formatting and fix linting errors Fix line length violations (E501) and magic value warnings (PLR2004) by: - Breaking long docstrings and comments across multiple lines - Extracting array indices to named variables with explanatory com... Pull #144 04 Feb 2026 10:34AM UTC ndaelman-hu github
66.88
21667485841 refactor/idiomatic-vasp-pseudopotential-parsing Fix transformer path for pseudopotential collection annotation Changed path from 'modeling.atominfo.array' to 'atominfo.array' in the get_pseudopotentials_xml transformer arguments. Transformer paths in collection annotations should be relative t... push 04 Feb 2026 10:18AM UTC ndaelman-hu github
66.91
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