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14 changes: 14 additions & 0 deletions .github/workflows/ci.yml
Original file line number Diff line number Diff line change
Expand Up @@ -64,3 +64,17 @@ jobs:
with:
submodules: true
- run: make audit_spelling

schema-validation:
name: Audit the schemas provided with the specification
runs-on: ubuntu-latest
timeout-minutes: 5
steps:
- uses: actions/checkout@v4
with:
submodules: true
- name: Install dependencies
run: pip install -r dependencies/submodules/optimade-property-tools/requirements.txt

- name: Validate schemas
run: make schemas
3 changes: 1 addition & 2 deletions CHANGELOG.md
Original file line number Diff line number Diff line change
Expand Up @@ -11,8 +11,7 @@ Minor OPTIMADE releases are always intended to be backwards-compatible for clien

## New features

- **Trajectories endpoint** ([#377](https://github.com/Materials-Consortia/OPTIMADE/pull/377), [#481](https://github.com/Materials-Consortia/OPTIMADE/pull/481))
): A new trajectories entry type has been added to the specification to share data belonging to ordered sequences of structures, such as those arising from molecular dynamics simulations or geometry optimizations.
- **Trajectories endpoint** ([#377](https://github.com/Materials-Consortia/OPTIMADE/pull/377), [#481](https://github.com/Materials-Consortia/OPTIMADE/pull/481)): A new trajectories entry type has been added to the specification to share data belonging to ordered sequences of structures, such as those arising from molecular dynamics simulations or geometry optimizations.
In order to handle large individual entries, this endpoint makes use of the partial data protocol introduced in v1.2, with additional specialisations for slicing (e.g., the `dimension_slices` URL parameter) and representing dimensions that remain constant throughout a trajectory, whilst retaining the ability to filter using the normal OPTIMADE syntax via the `reference_frame` field.
- **Provider-specific data types** ([#560](https://github.com/Materials-Consortia/OPTIMADE/pull/560)): Providers and namespaces can now define custom data types for their properties that let them use specific query semantics that differ from the standard OPTIMADE data types.
For example, a provider could define a field that uses a string format for a field, but a custom data type that allows for e.g., `CONTAINS` queries to do something other than pure substring matching.
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