FAIRmat-NFDI / nomad-parser-plugins-simulation / 25443639375

Builds Branch Commit Type Ran Committer Via Coverage
25443639375 fix-nmr-version Pin nmr schema version push ladinesa github
74.09
25432927321 gromacs-add-missing-annotation explicit type annotations for pylance compliance Pull #174 Bernadette-Mohr github
74.09
25169163886 make-h5md-machine-readable Support H5MD schema variants for box and time data Pull #175 EBB2675 github
74.31
25168308946 make-h5md-machine-readable Include H5MD schema YAML in wheels Pull #175 EBB2675 github
74.18
25168178280 make-h5md-machine-readable Share schema dimensions across HDF5 attributes push EBB2675 github
74.18
25168051443 make-h5md-machine-readable Ensure H5MD schema tests run in CI push EBB2675 github
74.15
25167078144 make-h5md-machine-readable Add initial H5MD schema validator prototype Pull #175 EBB2675 github
74.16
24571919752 gromacs-add-missing-annotation Fixed comments Pull #174 Bernadette-Mohr github
74.09
24570685617 gromacs-add-missing-annotation Corrected annotation for ForceField, ForceCalculation, ParticleParametersContainer Pull #174 Bernadette-Mohr github
74.09
24387167216 init-parser-util Initial implementation Pull #172 ladinesa github
74.39
24241565096 test-oasis Temporay fix for neb_workflow failure push ladinesa github
73.68
24240333703 develop Gromacs parser results (#156) * Added parsing of masses and (partial) charges * Rebasing onto current develop * Extended atom parameter parsing to include chemical_symbol and atomic_number, if available * WIP * Adapted schema to archive deriv... push web-flow github
74.09
24239903247 gromacs-parser_results removed stale dependency Pull #156 Bernadette-Mohr github
73.99
24239854351 gromacs-parser_results adressed review comments, reduced code redundancy in the parser push Bernadette-Mohr github
73.99
24235716545 test-oasis Temporay fix for neb_workflow failure push ladinesa github
72.81