• Home
  • Features
  • Pricing
  • Docs
  • Announcements
  • Sign In

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

Build:
Build:
LAST BUILD BRANCH: fix/wannier90-wien2k-numeric-sites
DEFAULT BRANCH: develop
Repo Added 09 Apr 2025 09:33AM UTC
Token JAni5cpvDf7CISjpzEyKbRjdj9qvkxp7M regen
Build 438 Last
Files 104
Badge
Embed ▾
README BADGES
x

If you need to use a raster PNG badge, change the '.svg' to '.png' in the link

Markdown

Textile

RDoc

HTML

Rst

LAST BUILD ON BRANCH test-data-normalization
branch: test-data-normalization
CHANGE BRANCH
x
Reset
Sync Branches
  • test-data-normalization
  • 10-add-github-copilot-instructions
  • abinit-mapping-parser
  • adapt-physicalproperty-changes
  • add-fhiaims-kmesh
  • add-mapping-annotations-util
  • add-md-parser-guide-docs
  • add-model-method-tests
  • add-pseudopot-parsing
  • add-tests
  • add-vasp-charge-density
  • add-yambo-parser
  • ams-mapping-parser
  • backup/test-data-normalization-fhiaims-2026-05-12
  • backup/test-oasis
  • crystal-mapping-parser
  • dependabot/devcontainers/ghcr.io/devcontainers-contrib/features/ruff-2.0.0
  • develop
  • ebb-mapping-playground
  • extend-parsers
  • extend-yambo
  • feature/add-nomad-file-parser-dependency
  • feature/convergence-targets-migration
  • feature/fhiaims-scf-convergence
  • feature/fhiaims-scf-convergence-alvin
  • fhiaims-mapping-parser
  • fix-abinit-dos
  • fix-commit
  • fix-field-naming-collision-h5md
  • fix-nmr-version
  • fix-particle-cgbeadstate
  • fix-qe-ruff-error
  • fix-representation-schema
  • fix/fhiaims-enable-energy-mapping
  • fix/pr170-parser-corrections
  • fix/remove-mapping-annotation-contamination
  • fix/wannier90-wien2k-numeric-sites
  • fix_workflow_recursion_h5md
  • fixes
  • gaussian-parser
  • gromacs-add-missing-annotation
  • gromacs-parser
  • gromacs-parser-clean
  • gromacs-parser_model-method
  • gromacs-parser_model-method-JFR
  • gromacs-parser_n-model-system
  • gromacs-parser_results
  • gromacs_parse_system_hierarchy
  • h5md-fix
  • hotfix/abinit-convergence-fields
  • init-parser-util
  • lammps-parser
  • lammps-parser_model-method
  • lammps-parser_system-hierarchy
  • lobster-parser
  • make-h5md-machine-readable
  • mapping-guide-doc
  • merge-vasp-lobster-doscar-parser
  • metadata-extractor
  • migrate-md
  • migrate-nomad-parser-h5md
  • minimal-orca-parser
  • minimal-orca-parser-alvin
  • molcas-parser
  • octopus-mapping-parser
  • optimize-fhiaims
  • orca-parser
  • parser_testing_strategy
  • patch-h5md-schema-init
  • pin-nmr-version
  • pr-150
  • pyscf-parser
  • qe-gipaw-parser
  • quantum-espresso-mapping-parser
  • quick-fix-mkdocs
  • refactor/idiomatic-vasp-pseudopotential-parsing
  • remove-manual-parsing-quantumespresso
  • rename-annotation.keys
  • rm-test-ams-scf-json
  • scf-convergence-migration
  • schema_update_convergence_targets
  • test-oasis
  • test/pr170-syrupy-verification
  • turbomole-parser
  • update-add-representation-section
  • update-dft-schema
  • update-nomad-simulations-urls
  • update-phonopy
  • update_add_system_orbitals
  • vasp-xc-jacobs-ladder-port
  • verify-pr170-migration
  • wannier90-mapping-parser
  • xc-functional-key-parsers

09 Jul 2026 02:17PM UTC coverage: 75.887% (-0.6%) from 76.512%
29024750646

Pull #170

github

ndaelman-hu
Reattach MPCDF registry as the primary package index

The MPCDF GitLab registry was removed as index in ecbdc25 after CI hit
errors resolving from it, but that was a transient registry downage. Public
PyPI only carries stable nomad-lab (<=1.4.2), which lacks the mapping-parser
fixes that the CHGCAR `update_mode='append'` relies on, so `test_chgcar`
fails there. The MPCDF registry carries the nomad-lab pre-releases with those
fixes (1.4.3.dev/rc). Restoring it as the primary index lets the declarative
charge-density mapping work again, matching develop's resolution.

Verified: installing via the MPCDF index resolves nomad-lab 1.4.3rc1 and the
full VASP suite (incl. test_chgcar) passes with the declarative convert.
Pull Request #170: Migration of fundamental system and electronic properties for normalization to results

1360 of 1971 new or added lines in 40 files covered. (69.0%)

23 existing lines in 8 files now uncovered.

10250 of 13507 relevant lines covered (75.89%)

0.76 hits per line

Relevant lines Covered
Build:
Build:
13507 RELEVANT LINES 10250 COVERED LINES
0.76 HITS PER LINE
Source Files on test-data-normalization
  • Tree
  • List 104
  • Changed 40
  • Source Changed 0
  • Coverage Changed 40
Coverage ∆ File Lines Relevant Covered Missed Hits/Line

Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
29024750646 test-data-normalization Reattach MPCDF registry as the primary package index The MPCDF GitLab registry was removed as index in ecbdc25 after CI hit errors resolving from it, but that was a transient registry downage. Public PyPI only carries stable nomad-lab (<=1.4.2), ... Pull #170 09 Jul 2026 02:31PM UTC ndaelman-hu github
75.89
29022653020 test-data-normalization Populate VASP charge density in the OUTCAR writer, not via mapping The declarative `update_mode='append'` mapping on `VASPOutputs` silently dropped `charge_density` on released nomad-lab (1.4.2): the CHGCAR section was never appended, yielding 13... Pull #170 09 Jul 2026 01:50PM UTC ndaelman-hu github
75.88
28899438520 test-data-normalization 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 cal... Pull #170 07 Jul 2026 09:23PM UTC ndaelman-hu github
73.75
28880824444 test-data-normalization Address review feedback on h5md, Octopus, Wannier90, Yambo, and GPAW parsers - h5md: guarantee parser handles close on conversion errors via try/finally in `write_to_archive` (per-call closing would tear down the shared h5 handle mid-parse) -... Pull #170 07 Jul 2026 04:12PM UTC ndaelman-hu github
73.7
28858228915 test-data-normalization Address review feedback on VASP parsers - Move the XML->OUTCAR electronic-outputs backfill from `VASPParser` into `XMLArchiveWriter`, keeping the TODO(mapping-migration) marker - Extract the XC functional mapping table and resolution into `pa... Pull #170 07 Jul 2026 10:11AM UTC ndaelman-hu github
73.7
28856692437 test-data-normalization Address review feedback on Octopus, Crystal, and QE parsers - Octopus: remove the dead `'._initial_system'` model_system annotation (immediately overwritten by the `get_systems` annotation on the same key), the writer-side `_initial_system` p... Pull #170 07 Jul 2026 09:45AM UTC ndaelman-hu github
73.6
28793407202 test-data-normalization Address review feedback on ABINIT, Crystal, and Exciting parsers - ABINIT: define the spin-channel count locally in `get_bandstructures`, its only use - Crystal: compile the atom-label regex once at module level - Crystal: extract `get_periodic... Pull #170 06 Jul 2026 01:06PM UTC ndaelman-hu github
73.63
28787361077 test-data-normalization 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... Pull #170 06 Jul 2026 11:17AM UTC ndaelman-hu github
73.61
28781299468 test-data-normalization Address review feedback: fix AMS band-gap fallback, DOSCAR suffix, stale eigenvalue mappings - AMS: the tuple/list fallback in `get_band_gaps` called `calculate_band_gap_from_occupations` with an unknown `threshold` keyword and indexed its di... Pull #170 06 Jul 2026 09:26AM UTC ndaelman-hu github
73.6
28779513693 test-data-normalization Remove MPCDF registry as sole package index CI runners receive 403 from the MPCDF GitLab PyPI registry, which `[tool.uv] index-url` pinned as the only index, breaking dependency resolution before tests even start. Public PyPI carries all dependen... Pull #170 06 Jul 2026 08:56AM UTC ndaelman-hu github
73.32
See All Builds (438)

Badge your Repo: nomad-parser-plugins-simulation

We detected this repo isn’t badged! Grab the embed code to the right, add it to your repo to show off your code coverage, and when the badge is live hit the refresh button to remove this message.

Could not find badge in README.

Embed ▾
README BADGES
x

If you need to use a raster PNG badge, change the '.svg' to '.png' in the link

Markdown

Textile

RDoc

HTML

Rst

Refresh
  • Settings
  • Repo on GitHub
STATUS · Troubleshooting · Open an Issue · Sales · Support · CAREERS · ENTERPRISE · START FREE TRIAL · SCHEDULE DEMO
ANNOUNCEMENTS · TWITTER · TOS & SLA · Supported CI Services · What's a CI service? · Automated Testing

© 2026 Coveralls, Inc