FAIRmat-NFDI / nomad-parser-plugins-simulation / 29048318368

76%

develop: 76%

Build Type

Pull #178

github

Committed by ndaelman-hu

Commit Message

Merge develop into feature/add-nomad-file-parser-dependency

Catch up the branch to develop (#170 property-normalization migration) and
reapply the nomad_file_parser import swap on top. cli.py and chgcar_parser.py
remain on nomad.parsing.file_parser, matching the original migration scope.

Update the abinit geometry-optimization convergence test to identify targets
by threshold_type instead of section name: nomad_file_parser serializes the
polymorphic convergence targets as the base WorkflowConvergenceTarget, and the
EnergyConvergenceTarget/ForceConvergenceTarget subclasses add no quantities of
their own, so no data is lost.

Pull Request Pull Request #178: Add nomad-file-parser dependency and migrate imports

Coverage Stats

75 of 76 new or added lines in 46 files covered. (98.68%)

18 existing lines in 2 files now uncovered.

10248 of 13505 relevant lines covered (75.88%)

0.76 hits per line