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

metadata-extractor

migrate-md

migrate-nomad-parser-h5md

minimal-orca-parser

minimal-orca-parser-alvin

molcas-parser

octopus-mapping-parser

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

rename-annotation.keys

scf-convergence-migration

schema_update_convergence_targets

test-data-normalization

test-oasis

test/pr170-syrupy-verification

turbomole-parser

update-add-representation-section

update-dft-schema

update-nomad-simulations-urls

update_add_system_orbitals

verify-pr170-migration

wannier90-mapping-parser

Committed 09 Jul 2026 09:46PM UTC coverage: 75.892% (+0.005%) from 75.887%

Build # 29052502446

Build Type

Pull #178

github

Committed by

ndaelman-hu

Commit Message

Preserve convergence-target subclasses in abinit parser

Assign convergence_targets after convert() so the mapping round-trip does not
re-instantiate them as the declared base type: previously the polymorphic
EnergyConvergenceTarget/ForceConvergenceTarget were downcast to
WorkflowConvergenceTarget. Matches exciting.parse_workflow and restores the
subclass-name assertion in the abinit geometry-optimization test.

Document the ordering caveat in add_mapping_annotation and exciting.parse_workflow.

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

Coverage Stats

75 of 75 new or added lines in 46 files covered. (100.0%)

1 existing line in 1 file now uncovered.

10250 of 13506 relevant lines covered (75.89%)

0.76 hits per line

Relevant lines Covered

13506 RELEVANT LINES 10250 COVERED LINES

0.76 HITS PER LINE

Source Files on develop

Recent builds

Builds	Branch	Commit	Type	Ran	Committer	Via	Coverage
29052502446	feature/add-nomad-file-parser-dependency	Preserve convergence-target subclasses in abinit parser Assign convergence_targets after convert() so the mapping round-trip does not re-instantiate them as the declared base type: previously the polymorphic EnergyConvergenceTarget/ForceConvergen...	Pull #178	09 Jul 2026 10:01PM UTC	ndaelman-hu	github	75.89
29048318368	feature/add-nomad-file-parser-dependency	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_pars...	Pull #178	09 Jul 2026 08:48PM UTC	ndaelman-hu	github	75.88
29045862586	test/pr170-syrupy-verification	Address Copilot re-review of the snapshot tooling - flatten() treats a wholly-empty archive (archive.data is None) as no leaves, so a None-vs-populated pair reads as additive instead of a false removal - check_additivity.sh status line now says...	Pull #189	09 Jul 2026 08:06PM UTC	ndaelman-hu	github	75.89
29045589248	test/pr170-syrupy-verification	Address Copilot review on the snapshot harness - pass a real get_logger(__name__) to parser.parse() instead of None, so parsers that log during parsing do not hit a None logger - print usage and exit 2 when compare_snapshots.py is called withou...	push	09 Jul 2026 08:02PM UTC	ndaelman-hu	github	75.89
29044136052	test/pr170-syrupy-verification	Make the snapshot additivity check ref-parameterized and runnable locally Replace the hardcoded pre-migration baseline commit with a source/target pair: the check now compares a source ref (under test) against a target ref (baseline whose data mu...	Pull #189	09 Jul 2026 07:38PM UTC	ndaelman-hu	github	75.89
29029918671	test/pr170-syrupy-verification	Restructure compare_snapshots.py into documented stages Split into parse / flatten / diff / report sections with docstrings, a typed LeafDiff result, named constants for the print caps and float tolerance, and fuller comments explaining the amber...	Pull #189	09 Jul 2026 03:40PM UTC	ndaelman-hu	github	75.89
29029823093	test/pr170-syrupy-verification	Stop tracking PR170 migration verification report The snapshot-tests workflow and compare_snapshots.py are self-documenting; the standalone report is redundant and kept only locally.	push	09 Jul 2026 03:39PM UTC	ndaelman-hu	github	75.89
29029406123	test/pr170-syrupy-verification	Generate migration snapshots in CI instead of tracking them Snapshots are large generated artifacts, not source. Stop tracking the two .ambr files (git-ignore them) and have the manual snapshot-tests workflow produce both the pre-migration baseli...	push	09 Jul 2026 03:39PM UTC	ndaelman-hu	github	75.89
29026783815	test/pr170-syrupy-verification	Add manually triggered CI job for migration snapshot tests - New `workflow_dispatch` workflow runs `tests/parsers/test_migration_snapshots.py` on demand - Move `syrupy` into the `dev` extra so the standard `uv pip install -e '.[dev,md]'` inst...	Pull #189	09 Jul 2026 03:01PM UTC	ndaelman-hu	github	75.89
29026229440	develop	Migration of fundamental system and electronic properties for normalization to results (#170) Replace manual `archive.run` population with declarative `add_mapping_annotation` for electronic outputs (`electronic_eigenvalues`, `electronic_dos`, `e...	push	09 Jul 2026 02:49PM UTC	web-flow	github	75.89

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