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OPTIMADE v1.2.0-rc.1

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@ml-evs ml-evs released this 23 Dec 21:22
· 643 commits to master since this release
v1.2.0-rc.1
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v1.2.0-rc.1 (December 2022)

This is the first release candidate of v1.2.0 of the OPTIMADE API specification.
It should contain all of the new features in the specification, but their implementation may be modified in the final release.

Note: The OpenAPI schemas distributed in ./schemas have not yet been modified with the new features 1.2.0.

This minor release adds significant but optional new functionality to the specification, as well as providing several clarifications to existing behaviour.

New features

  • Property definitions (#376).
    A new section titled Property Definitions has been added to the specification which significantly extends the way in which implementations can define and describe the custom properties they serve, including URIs, unit definitions, API support levels (for querying and sorting) as well as full support for JSON Schema constructs for describing the JSON representation of the property.
  • Files endpoint (#360).
    The /files endpoint and corresponding files entry
    type     has been added to provide a robust way of linking entries to arbitrary file-based data relevant to the entry, such as alternative crystal structure representation formats, input or output files from computational procedures, or experimental data files.
  • Boolean values (#348).
    Boolean values were overlooked in the first version of the filter grammar as no OPTIMADE fields required them.
    This functionality has been introduced for boolean fields using the syntax TRUE and FALSE.
    Only strict equality (=) and inequality (!=) comparisons on individual fields are supported.
  • Fuzzy comparisons on lists (#415)
    String comparisons like CONTAINS, STARTS WITH and ENDS WITH are now compatible with list filter operations like HAS, HAS ALL etc.
  • Backoff time (#411):
  • Database licenses (#414):
  • Symmetry data (#405):

Full Changelog: v1.1.0...v1.2.0-rc.1

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