Add new symmetry fields to structure model #1422

ml-evs · 2022-12-06T19:36:22Z

Closes #1415, pending future changes to the specification on symmetry.

To-do:

Add field to models
OpenAPI
Testing
Validation of values for space group number
Validation of values for Hall symbol (less important)
Update wrt. Symmetry operation specifications in Jones faithful notation (defined by PCRE) OPTIMADE#464

removed duplicate requirement

* Use Python 3.9 as the 'base' CI version for linting * Update pre-commit hooks * Run `pyupgrade --py39-plus` to upgrade legacy annotations * Add `--exit-non-zero-on-fix` for ruff Co-authored-by: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com> * Use f-string over format Co-authored-by: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com> --------- Co-authored-by: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com>

Use pydantic v1 API wih v2 package Replace `regex` with `pattern` Use pydantic v2 API for model dumps Go use pydantic v2 API again Bump deps in pyproject and adjust for pydantic_settings Attempt to migrate some pydantic v2 features Run bump-pydantic Update deps in requirements Post pydantic-bump tweak number 3 Post pydantic-bump tweak number 4 Post pydantic-bump tweak number 5 Reintroduce email-validator dep via pydantic extra Placating mypy Use lax annotated type rather than validator Attempt to simplify some tests for pydantic v2 Bump pydantic version in pre-commit Bump to pydantic 2.3.0

- Reintroduce `http_client` extra as an alias for `http-client`

Still need to pass in a proper REF_TEMPLATE.

Lot's of changes here - mainly in optimade.server.schemas:retrieve_queryable_properties(). Using the `model_fields` and FieldInfo instead of the generated JSON Schema. Mainly due to the changes in the generated schema. This led to a bit of hacking concerning the type (FieldInfo.annotation). But otherwise, I think this is a better approach. Also implemented for EntryCollection.get_attribute_fields(). Otherwise, changes here and there to make tests work as well as doing some static typing sporadically.

Remove mp-api and emmet-core dependencies Remove emmet-core from requirements file as well Update mkdocstrings dependency in requirements file

Use the new Python handler for mkdocstrings - updating the configuration in all_models.md to include all submodules for optimade.models.

Needed to properly ONLY check if annotation was Union or Optional before using `get_args()`. Otherwise a type required as a list of strings is unpacked to `str`, which we do not want.

Use enum `.value` for comparison (check if this should be used elsewhere in the code for any Enum classes/types). Disable ignoring warning about pydantic v2 deprecations in order to use pydantic v2 methods in remaining places. Consider completely removing the special function used for setting `nullable=true` in JSON schema for 'SHOULD' OPTIMADE support fields. It seems `nullable` is no longer a valid field in OpenAPI v3.1.0, but also, the properties/fields this is added to already support the value being `null`.

This is no longer part of the OpenAPI spec as of v3.1. Fixes #1814

Also update some static typing here and there.

- Avoid running mypy on tests folder. - Remove mypy ignore statements from tests - Revert to having implicit Optional

- Tidy up changes re: `Datatype` - Revert to using `typing.Callable` due to old Python 3.9 bug - Move docstring note about dates back to config of Response model - Revert class name from `Datatype` back to `DataType` - Remove defunct comment

* Bump pylint from 2.17.5 to 2.17.7 (#1800) Bumps [pylint](https://github.com/pylint-dev/pylint) from 2.17.5 to 2.17.7. - [Release notes](https://github.com/pylint-dev/pylint/releases) - [Commits](pylint-dev/pylint@v2.17.5...v2.17.7) --- updated-dependencies: - dependency-name: pylint dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump fastapi from 0.103.1 to 0.103.2 (#1799) Bumps [fastapi](https://github.com/tiangolo/fastapi) from 0.103.1 to 0.103.2. - [Release notes](https://github.com/tiangolo/fastapi/releases) - [Commits](fastapi/fastapi@0.103.1...0.103.2) --- updated-dependencies: - dependency-name: fastapi dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump rich from 13.5.3 to 13.6.0 (#1803) Bumps [rich](https://github.com/Textualize/rich) from 13.5.3 to 13.6.0. - [Release notes](https://github.com/Textualize/rich/releases) - [Changelog](https://github.com/Textualize/rich/blob/master/CHANGELOG.md) - [Commits](Textualize/rich@v13.5.3...v13.6.0) --- updated-dependencies: - dependency-name: rich dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump chuhlomin/render-template from 1.7 to 1.8 (#1805) Bumps [chuhlomin/render-template](https://github.com/chuhlomin/render-template) from 1.7 to 1.8. - [Release notes](https://github.com/chuhlomin/render-template/releases) - [Commits](chuhlomin/render-template@v1.7...v1.8) --- updated-dependencies: - dependency-name: chuhlomin/render-template dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pylint from 2.17.7 to 3.0.1 (#1807) Bumps [pylint](https://github.com/pylint-dev/pylint) from 2.17.7 to 3.0.1. - [Release notes](https://github.com/pylint-dev/pylint/releases) - [Commits](pylint-dev/pylint@v2.17.7...v3.0.1) --- updated-dependencies: - dependency-name: pylint dependency-type: direct:development update-type: version-update:semver-major ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.0.291 to 0.0.292 (#1809) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.0.291 to 0.0.292. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/BREAKING_CHANGES.md) - [Commits](astral-sh/ruff@v0.0.291...v0.0.292) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocs-material from 9.4.2 to 9.4.4 (#1806) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.4.2 to 9.4.4. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.4.2...9.4.4) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pre-commit from 3.4.0 to 3.5.0 (#1818) Bumps [pre-commit](https://github.com/pre-commit/pre-commit) from 3.4.0 to 3.5.0. - [Release notes](https://github.com/pre-commit/pre-commit/releases) - [Changelog](https://github.com/pre-commit/pre-commit/blob/main/CHANGELOG.md) - [Commits](pre-commit/pre-commit@v3.4.0...v3.5.0) --- updated-dependencies: - dependency-name: pre-commit dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocs-material from 9.4.4 to 9.4.6 (#1822) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.4.4 to 9.4.6. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.4.4...9.4.6) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mypy from 1.5.1 to 1.6.0 (#1821) Bumps [mypy](https://github.com/python/mypy) from 1.5.1 to 1.6.0. - [Commits](python/mypy@v1.5.1...v1.6.0) --- updated-dependencies: - dependency-name: mypy dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com> * Bump mypy from 1.6.0 to 1.6.1 (#1824) Bumps [mypy](https://github.com/python/mypy) from 1.6.0 to 1.6.1. - [Changelog](https://github.com/python/mypy/blob/master/CHANGELOG.md) - [Commits](python/mypy@v1.6.0...v1.6.1) --- updated-dependencies: - dependency-name: mypy dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.0.292 to 0.1.1 (#1827) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.0.292 to 0.1.1. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.0.292...v0.1.1) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pylint from 3.0.1 to 3.0.2 (#1826) Bumps [pylint](https://github.com/pylint-dev/pylint) from 3.0.1 to 3.0.2. - [Release notes](https://github.com/pylint-dev/pylint/releases) - [Commits](pylint-dev/pylint@v3.0.1...v3.0.2) --- updated-dependencies: - dependency-name: pylint dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump black from 23.9.1 to 23.10.0 (#1829) Bumps [black](https://github.com/psf/black) from 23.9.1 to 23.10.0. - [Release notes](https://github.com/psf/black/releases) - [Changelog](https://github.com/psf/black/blob/main/CHANGES.md) - [Commits](psf/black@23.9.1...23.10.0) --- updated-dependencies: - dependency-name: black dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Update `pre-commit` hooks * Fix linting * Remove now defunct comment --------- Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com> Co-authored-by: Matthew Evans <git@ml-evs.science>

…hort circuit. (#1838)

Update dependencies: * Bump ruff from 0.1.1 to 0.1.3 (#1839) * Bump pytest from 7.4.2 to 7.4.3 (#1840) * Bump black from 23.10.0 to 23.10.1 (#1841) * Bump mkdocs-material from 9.4.6 to 9.4.7 (#1842) Update `pre-commit` hooks. Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

…OPTIMADE consortia (#1849)

Bumps [providers](https://github.com/Materials-Consortia/providers) from `564a499` to `d8322a4`. - [Commits](Materials-Consortia/providers@564a499...d8322a4) --- updated-dependencies: - dependency-name: providers dependency-type: direct:production ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* Bump actions/setup-python from 4 to 5 (#1892) Bumps [actions/setup-python](https://github.com/actions/setup-python) from 4 to 5. - [Release notes](https://github.com/actions/setup-python/releases) - [Commits](actions/setup-python@v4...v5) --- updated-dependencies: - dependency-name: actions/setup-python dependency-type: direct:production update-type: version-update:semver-major ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump chuhlomin/render-template from 1.8 to 1.9 (#1893) Bumps [chuhlomin/render-template](https://github.com/chuhlomin/render-template) from 1.8 to 1.9. - [Release notes](https://github.com/chuhlomin/render-template/releases) - [Commits](chuhlomin/render-template@v1.8...v1.9) --- updated-dependencies: - dependency-name: chuhlomin/render-template dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump isort from 5.12.0 to 5.13.0 (#1895) Bumps [isort](https://github.com/pycqa/isort) from 5.12.0 to 5.13.0. - [Release notes](https://github.com/pycqa/isort/releases) - [Changelog](https://github.com/PyCQA/isort/blob/main/CHANGELOG.md) - [Commits](PyCQA/isort@5.12.0...5.13.0) --- updated-dependencies: - dependency-name: isort dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump aiida-core from 2.4.1 to 2.4.2 (#1894) Bumps [aiida-core](https://github.com/aiidateam/aiida-core) from 2.4.1 to 2.4.2. - [Release notes](https://github.com/aiidateam/aiida-core/releases) - [Changelog](https://github.com/aiidateam/aiida-core/blob/main/CHANGELOG.md) - [Commits](aiidateam/aiida-core@v2.4.1...v2.4.2) --- updated-dependencies: - dependency-name: aiida-core dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pre-commit from 3.5.0 to 3.6.0 (#1896) Bumps [pre-commit](https://github.com/pre-commit/pre-commit) from 3.5.0 to 3.6.0. - [Release notes](https://github.com/pre-commit/pre-commit/releases) - [Changelog](https://github.com/pre-commit/pre-commit/blob/main/CHANGELOG.md) - [Commits](pre-commit/pre-commit@v3.5.0...v3.6.0) --- updated-dependencies: - dependency-name: pre-commit dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pymongo from 4.6.0 to 4.6.1 (#1897) Bumps [pymongo](https://github.com/mongodb/mongo-python-driver) from 4.6.0 to 4.6.1. - [Release notes](https://github.com/mongodb/mongo-python-driver/releases) - [Changelog](https://github.com/mongodb/mongo-python-driver/blob/master/doc/changelog.rst) - [Commits](mongodb/mongo-python-driver@4.6.0...4.6.1) --- updated-dependencies: - dependency-name: pymongo dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.1.6 to 0.1.7 (#1898) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.1.6 to 0.1.7. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.1.6...v0.1.7) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocs-material from 9.4.14 to 9.5.1 (#1899) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.4.14 to 9.5.1. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.4.14...9.5.1) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.1.7 to 0.1.8 (#1902) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.1.7 to 0.1.8. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.1.7...v0.1.8) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocs-material from 9.5.1 to 9.5.2 (#1903) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.1 to 9.5.2. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.1...9.5.2) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump black from 23.11.0 to 23.12.0 (#1904) Bumps [black](https://github.com/psf/black) from 23.11.0 to 23.12.0. - [Release notes](https://github.com/psf/black/releases) - [Changelog](https://github.com/psf/black/blob/main/CHANGES.md) - [Commits](psf/black@23.11.0...23.12.0) --- updated-dependencies: - dependency-name: black dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump isort from 5.13.0 to 5.13.2 (#1905) Bumps [isort](https://github.com/pycqa/isort) from 5.13.0 to 5.13.2. - [Release notes](https://github.com/pycqa/isort/releases) - [Changelog](https://github.com/PyCQA/isort/blob/main/CHANGELOG.md) - [Commits](PyCQA/isort@5.13.0...5.13.2) --- updated-dependencies: - dependency-name: isort dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump fastapi from 0.104.1 to 0.105.0 (#1906) Bumps [fastapi](https://github.com/tiangolo/fastapi) from 0.104.1 to 0.105.0. - [Release notes](https://github.com/tiangolo/fastapi/releases) - [Commits](fastapi/fastapi@0.104.1...0.105.0) --- updated-dependencies: - dependency-name: fastapi dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump uvicorn from 0.24.0.post1 to 0.25.0 (#1910) Bumps [uvicorn](https://github.com/encode/uvicorn) from 0.24.0.post1 to 0.25.0. - [Release notes](https://github.com/encode/uvicorn/releases) - [Changelog](https://github.com/encode/uvicorn/blob/master/CHANGELOG.md) - [Commits](encode/uvicorn@0.24.0.post1...0.25.0) --- updated-dependencies: - dependency-name: uvicorn dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pymatgen from 2023.11.12 to 2023.12.18 (#1911) Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2023.11.12 to 2023.12.18. - [Release notes](https://github.com/materialsproject/pymatgen/releases) - [Changelog](https://github.com/materialsproject/pymatgen/blob/master/docs/CHANGES.md) - [Commits](materialsproject/pymatgen@v2023.11.12...v2023.12.18) --- updated-dependencies: - dependency-name: pymatgen dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump black from 23.12.0 to 23.12.1 (#1912) Bumps [black](https://github.com/psf/black) from 23.12.0 to 23.12.1. - [Release notes](https://github.com/psf/black/releases) - [Changelog](https://github.com/psf/black/blob/main/CHANGES.md) - [Commits](psf/black@23.12.0...23.12.1) --- updated-dependencies: - dependency-name: black dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump aiida-core from 2.4.2 to 2.5.0 (#1913) Bumps [aiida-core](https://github.com/aiidateam/aiida-core) from 2.4.2 to 2.5.0. - [Release notes](https://github.com/aiidateam/aiida-core/releases) - [Changelog](https://github.com/aiidateam/aiida-core/blob/main/CHANGELOG.md) - [Commits](aiidateam/aiida-core@v2.4.2...v2.5.0) --- updated-dependencies: - dependency-name: aiida-core dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mypy from 1.7.1 to 1.8.0 (#1914) Bumps [mypy](https://github.com/python/mypy) from 1.7.1 to 1.8.0. - [Changelog](https://github.com/python/mypy/blob/master/CHANGELOG.md) - [Commits](python/mypy@v1.7.1...v1.8.0) --- updated-dependencies: - dependency-name: mypy dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump httpx from 0.25.2 to 0.26.0 (#1915) Bumps [httpx](https://github.com/encode/httpx) from 0.25.2 to 0.26.0. - [Release notes](https://github.com/encode/httpx/releases) - [Changelog](https://github.com/encode/httpx/blob/master/CHANGELOG.md) - [Commits](encode/httpx@0.25.2...0.26.0) --- updated-dependencies: - dependency-name: httpx dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.1.8 to 0.1.9 (#1916) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.1.8 to 0.1.9. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.1.8...v0.1.9) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocs-material from 9.5.2 to 9.5.3 (#1917) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.2 to 9.5.3. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.2...9.5.3) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump fastapi from 0.105.0 to 0.108.0 (#1918) Bumps [fastapi](https://github.com/tiangolo/fastapi) from 0.105.0 to 0.108.0. - [Release notes](https://github.com/tiangolo/fastapi/releases) - [Commits](fastapi/fastapi@0.105.0...0.108.0) --- updated-dependencies: - dependency-name: fastapi dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pytest from 7.4.3 to 7.4.4 (#1919) Bumps [pytest](https://github.com/pytest-dev/pytest) from 7.4.3 to 7.4.4. - [Release notes](https://github.com/pytest-dev/pytest/releases) - [Changelog](https://github.com/pytest-dev/pytest/blob/main/CHANGELOG.rst) - [Commits](pytest-dev/pytest@7.4.3...7.4.4) --- updated-dependencies: - dependency-name: pytest dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump jarvis-tools from 2023.9.20 to 2023.12.12 (#1920) Bumps [jarvis-tools](https://github.com/usnistgov/jarvis) from 2023.9.20 to 2023.12.12. - [Release notes](https://github.com/usnistgov/jarvis/releases) - [Commits](https://github.com/usnistgov/jarvis/commits) --- updated-dependencies: - dependency-name: jarvis-tools dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Update `pre-commit` hooks * Bump pydantic[email] from 2.3.0 to 2.5.3 (#1922) Bumps [pydantic[email]](https://github.com/pydantic/pydantic) from 2.3.0 to 2.5.3. - [Release notes](https://github.com/pydantic/pydantic/releases) - [Changelog](https://github.com/pydantic/pydantic/blob/v2.5.3/HISTORY.md) - [Commits](pydantic/pydantic@v2.3.0...v2.5.3) --- updated-dependencies: - dependency-name: pydantic[email] dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --------- Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com>

…h over pagination (#1925) * Add ability to count the results for databases that do not serve `meta->data_returned` via binary search * Add verbosity flag to client * Add way to force binary search for testing * Refactor and properly test binary search

Bumps [providers](https://github.com/Materials-Consortia/providers) from `d8322a4` to `93d2b52`. - [Commits](Materials-Consortia/providers@d8322a4...93d2b52) --- updated-dependencies: - dependency-name: providers dependency-type: direct:production ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* Attempt to allow publishing release from backport branches in CI (#1931) * Backport release CI fix-up attempt no. 2 (#1932) * Fix typo in CI fix * Fix GH API call in CI * Tweak docs build; only tag docs versions as stable if they are released from default branch

…p is detected (#1940)

Bumps [providers](https://github.com/Materials-Consortia/providers) from `93d2b52` to `97c69be`. - [Commits](Materials-Consortia/providers@93d2b52...97c69be) --- updated-dependencies: - dependency-name: providers dependency-type: direct:production ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

Bumps [providers](https://github.com/Materials-Consortia/providers) from `97c69be` to `46c8d85`. - [Commits](Materials-Consortia/providers@97c69be...46c8d85) --- updated-dependencies: - dependency-name: providers dependency-type: direct:production ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

Bumps [providers](https://github.com/Materials-Consortia/providers) from `46c8d85` to `ad0e214`. - [Commits](Materials-Consortia/providers@46c8d85...ad0e214) --- updated-dependencies: - dependency-name: providers dependency-type: direct:production ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* Bump ruff from 0.1.9 to 0.1.11 (#1923) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.1.9 to 0.1.11. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.1.9...v0.1.11) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump lark from 1.1.7 to 1.1.9 (#1927) Bumps [lark](https://github.com/lark-parser/lark) from 1.1.7 to 1.1.9. - [Release notes](https://github.com/lark-parser/lark/releases) - [Changelog](https://github.com/lark-parser/lark/blob/master/CHANGELOG.md) - [Commits](lark-parser/lark@1.1.7...1.1.9) --- updated-dependencies: - dependency-name: lark dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.1.11 to 0.1.13 (#1937) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.1.11 to 0.1.13. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.1.11...v0.1.13) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump fastapi from 0.108.0 to 0.109.0 (#1938) Bumps [fastapi](https://github.com/tiangolo/fastapi) from 0.108.0 to 0.109.0. - [Release notes](https://github.com/tiangolo/fastapi/releases) - [Commits](fastapi/fastapi@0.108.0...0.109.0) --- updated-dependencies: - dependency-name: fastapi dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocs-material from 9.5.3 to 9.5.4 (#1942) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.3 to 9.5.4. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.3...9.5.4) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.1.13 to 0.1.14 (#1943) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.1.13 to 0.1.14. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.1.13...v0.1.14) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump uvicorn from 0.25.0 to 0.26.0 (#1944) Bumps [uvicorn](https://github.com/encode/uvicorn) from 0.25.0 to 0.26.0. - [Release notes](https://github.com/encode/uvicorn/releases) - [Changelog](https://github.com/encode/uvicorn/blob/master/CHANGELOG.md) - [Commits](encode/uvicorn@0.25.0...0.26.0) --- updated-dependencies: - dependency-name: uvicorn dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pytest from 7.4.4 to 8.0.0 (#1949) Bumps [pytest](https://github.com/pytest-dev/pytest) from 7.4.4 to 8.0.0. - [Release notes](https://github.com/pytest-dev/pytest/releases) - [Changelog](https://github.com/pytest-dev/pytest/blob/main/CHANGELOG.rst) - [Commits](pytest-dev/pytest@7.4.4...8.0.0) --- updated-dependencies: - dependency-name: pytest dependency-type: direct:development update-type: version-update:semver-major ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump uvicorn from 0.26.0 to 0.27.0 (#1950) Bumps [uvicorn](https://github.com/encode/uvicorn) from 0.26.0 to 0.27.0. - [Release notes](https://github.com/encode/uvicorn/releases) - [Changelog](https://github.com/encode/uvicorn/blob/master/CHANGELOG.md) - [Commits](encode/uvicorn@0.26.0...0.27.0) --- updated-dependencies: - dependency-name: uvicorn dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pymatgen from 2023.12.18 to 2024.1.27 (#1951) Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2023.12.18 to 2024.1.27. - [Release notes](https://github.com/materialsproject/pymatgen/releases) - [Changelog](https://github.com/materialsproject/pymatgen/blob/master/docs/CHANGES.md) - [Commits](materialsproject/pymatgen@v2023.12.18...v2024.1.27) --- updated-dependencies: - dependency-name: pymatgen dependency-type: direct:production update-type: version-update:semver-major ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocs-material from 9.5.4 to 9.5.6 (#1952) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.4 to 9.5.6. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.4...9.5.6) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Update `pre-commit` hooks --------- Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

Update GH Actions: * Bump peter-evans/create-pull-request from 5 to 6 (#1960) * Bump codecov/codecov-action from 3 to 4 (#1961) Add codecov token. Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Casper Welzel Andersen <casper.w.andersen@sintef.no>

Bumps [fastapi](https://github.com/tiangolo/fastapi) from 0.109.0 to 0.109.1. - [Release notes](https://github.com/tiangolo/fastapi/releases) - [Commits](fastapi/fastapi@0.109.0...0.109.1) --- updated-dependencies: - dependency-name: fastapi dependency-type: direct:production ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* Bump mkdocs-material from 9.5.6 to 9.5.7 (#1963) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.6 to 9.5.7. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.6...9.5.7) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.1.14 to 0.2.0 (#1964) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.1.14 to 0.2.0. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.1.14...v0.2.0) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pydantic[email] from 2.5.3 to 2.6.0 (#1965) Bumps [pydantic[email]](https://github.com/pydantic/pydantic) from 2.5.3 to 2.6.0. - [Release notes](https://github.com/pydantic/pydantic/releases) - [Changelog](https://github.com/pydantic/pydantic/blob/main/HISTORY.md) - [Commits](pydantic/pydantic@v2.5.3...v2.6.0) --- updated-dependencies: - dependency-name: pydantic[email] dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump fastapi from 0.109.0 to 0.109.2 (#1966) Bumps [fastapi](https://github.com/tiangolo/fastapi) from 0.109.0 to 0.109.2. - [Release notes](https://github.com/tiangolo/fastapi/releases) - [Commits](fastapi/fastapi@0.109.0...0.109.2) --- updated-dependencies: - dependency-name: fastapi dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump uvicorn from 0.27.0 to 0.27.0.post1 (#1967) Bumps [uvicorn](https://github.com/encode/uvicorn) from 0.27.0 to 0.27.0.post1. - [Release notes](https://github.com/encode/uvicorn/releases) - [Changelog](https://github.com/encode/uvicorn/blob/master/CHANGELOG.md) - [Commits](encode/uvicorn@0.27.0...0.27.0.post1) --- updated-dependencies: - dependency-name: uvicorn dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump aiida-core from 2.5.0 to 2.5.1 (#1968) Bumps [aiida-core](https://github.com/aiidateam/aiida-core) from 2.5.0 to 2.5.1. - [Release notes](https://github.com/aiidateam/aiida-core/releases) - [Changelog](https://github.com/aiidateam/aiida-core/blob/main/CHANGELOG.md) - [Commits](aiidateam/aiida-core@v2.5.0...v2.5.1) --- updated-dependencies: - dependency-name: aiida-core dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pre-commit from 3.6.0 to 3.6.1 (#1970) Bumps [pre-commit](https://github.com/pre-commit/pre-commit) from 3.6.0 to 3.6.1. - [Release notes](https://github.com/pre-commit/pre-commit/releases) - [Changelog](https://github.com/pre-commit/pre-commit/blob/main/CHANGELOG.md) - [Commits](pre-commit/pre-commit@v3.6.0...v3.6.1) --- updated-dependencies: - dependency-name: pre-commit dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocs-material from 9.5.7 to 9.5.9 (#1971) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.7 to 9.5.9. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.7...9.5.9) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.2.0 to 0.2.1 (#1972) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.2.0 to 0.2.1. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.2.0...v0.2.1) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pydantic[email] from 2.6.0 to 2.6.1 (#1973) Bumps [pydantic[email]](https://github.com/pydantic/pydantic) from 2.6.0 to 2.6.1. - [Release notes](https://github.com/pydantic/pydantic/releases) - [Changelog](https://github.com/pydantic/pydantic/blob/main/HISTORY.md) - [Commits](pydantic/pydantic@v2.6.0...v2.6.1) --- updated-dependencies: - dependency-name: pydantic[email] dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pymatgen from 2024.1.27 to 2024.2.8 (#1974) Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2024.1.27 to 2024.2.8. - [Release notes](https://github.com/materialsproject/pymatgen/releases) - [Changelog](https://github.com/materialsproject/pymatgen/blob/master/docs/CHANGES.md) - [Commits](materialsproject/pymatgen@v2024.1.27...v2024.2.8) --- updated-dependencies: - dependency-name: pymatgen dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump uvicorn from 0.27.0.post1 to 0.27.1 (#1975) Bumps [uvicorn](https://github.com/encode/uvicorn) from 0.27.0.post1 to 0.27.1. - [Release notes](https://github.com/encode/uvicorn/releases) - [Changelog](https://github.com/encode/uvicorn/blob/master/CHANGELOG.md) - [Commits](encode/uvicorn@0.27.0.post1...0.27.1) --- updated-dependencies: - dependency-name: uvicorn dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pydantic-settings from 2.1.0 to 2.2.0 (#1977) Bumps [pydantic-settings](https://github.com/pydantic/pydantic-settings) from 2.1.0 to 2.2.0. - [Release notes](https://github.com/pydantic/pydantic-settings/releases) - [Commits](pydantic/pydantic-settings@v2.1.0...v2.2.0) --- updated-dependencies: - dependency-name: pydantic-settings dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.2.1 to 0.2.2 (#1978) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.2.1 to 0.2.2. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.2.1...v0.2.2) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pytest from 8.0.0 to 8.0.1 (#1979) Bumps [pytest](https://github.com/pytest-dev/pytest) from 8.0.0 to 8.0.1. - [Release notes](https://github.com/pytest-dev/pytest/releases) - [Changelog](https://github.com/pytest-dev/pytest/blob/main/CHANGELOG.rst) - [Commits](pytest-dev/pytest@8.0.0...8.0.1) --- updated-dependencies: - dependency-name: pytest dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pre-commit from 3.6.1 to 3.6.2 (#1976) Bumps [pre-commit](https://github.com/pre-commit/pre-commit) from 3.6.1 to 3.6.2. - [Release notes](https://github.com/pre-commit/pre-commit/releases) - [Changelog](https://github.com/pre-commit/pre-commit/blob/main/CHANGELOG.md) - [Commits](pre-commit/pre-commit@v3.6.1...v3.6.2) --- updated-dependencies: - dependency-name: pre-commit dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com> * Update `pre-commit` hooks --------- Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com>

* Bump fastapi from 0.109.2 to 0.110.0 (#1983) Bumps [fastapi](https://github.com/tiangolo/fastapi) from 0.109.2 to 0.110.0. - [Release notes](https://github.com/tiangolo/fastapi/releases) - [Commits](fastapi/fastapi@0.109.2...0.110.0) --- updated-dependencies: - dependency-name: fastapi dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pymongo from 4.6.1 to 4.6.2 (#1982) Bumps [pymongo](https://github.com/mongodb/mongo-python-driver) from 4.6.1 to 4.6.2. - [Release notes](https://github.com/mongodb/mongo-python-driver/releases) - [Changelog](https://github.com/mongodb/mongo-python-driver/blob/master/doc/changelog.rst) - [Commits](mongodb/mongo-python-driver@4.6.1...4.6.2) --- updated-dependencies: - dependency-name: pymongo dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pymatgen from 2024.2.8 to 2024.2.23 (#1984) Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2024.2.8 to 2024.2.23. - [Release notes](https://github.com/materialsproject/pymatgen/releases) - [Changelog](https://github.com/materialsproject/pymatgen/blob/master/docs/CHANGES.md) - [Commits](materialsproject/pymatgen@v2024.2.8...v2024.2.23) --- updated-dependencies: - dependency-name: pymatgen dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pydantic-settings from 2.2.0 to 2.2.1 (#1985) Bumps [pydantic-settings](https://github.com/pydantic/pydantic-settings) from 2.2.0 to 2.2.1. - [Release notes](https://github.com/pydantic/pydantic-settings/releases) - [Commits](pydantic/pydantic-settings@v2.2.0...v2.2.1) --- updated-dependencies: - dependency-name: pydantic-settings dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pytest from 8.0.1 to 8.0.2 (#1987) Bumps [pytest](https://github.com/pytest-dev/pytest) from 8.0.1 to 8.0.2. - [Release notes](https://github.com/pytest-dev/pytest/releases) - [Changelog](https://github.com/pytest-dev/pytest/blob/main/CHANGELOG.rst) - [Commits](pytest-dev/pytest@8.0.1...8.0.2) --- updated-dependencies: - dependency-name: pytest dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocs-material from 9.5.9 to 9.5.11 (#1989) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.9 to 9.5.11. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.9...9.5.11) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pydantic[email] from 2.6.1 to 2.6.2 (#1986) Bumps [pydantic[email]](https://github.com/pydantic/pydantic) from 2.6.1 to 2.6.2. - [Release notes](https://github.com/pydantic/pydantic/releases) - [Changelog](https://github.com/pydantic/pydantic/blob/main/HISTORY.md) - [Commits](pydantic/pydantic@v2.6.1...v2.6.2) --- updated-dependencies: - dependency-name: pydantic[email] dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com> * Bump httpx from 0.26.0 to 0.27.0 (#1988) * Bump httpx from 0.26.0 to 0.27.0 Bumps [httpx](https://github.com/encode/httpx) from 0.26.0 to 0.27.0. - [Release notes](https://github.com/encode/httpx/releases) - [Changelog](https://github.com/encode/httpx/blob/master/CHANGELOG.md) - [Commits](encode/httpx@0.26.0...0.27.0) --- updated-dependencies: - dependency-name: httpx dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> * Add deprecation warning ignore for testclient --------- Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <git@ml-evs.science> * Update `pre-commit` hooks * Ruff pre-commit update and bump settings --------- Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com> Co-authored-by: Matthew Evans <git@ml-evs.science>

* Bump mkdocs-material from 9.5.11 to 9.5.15 (#2008) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.11 to 9.5.15. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.11...9.5.15) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pytest from 8.0.2 to 8.1.1 (#2007) Bumps [pytest](https://github.com/pytest-dev/pytest) from 8.0.2 to 8.1.1. - [Release notes](https://github.com/pytest-dev/pytest/releases) - [Changelog](https://github.com/pytest-dev/pytest/blob/main/CHANGELOG.rst) - [Commits](pytest-dev/pytest@8.0.2...8.1.1) --- updated-dependencies: - dependency-name: pytest dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.2.2 to 0.3.4 (#2009) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.2.2 to 0.3.4. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.2.2...v0.3.4) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump uvicorn from 0.27.1 to 0.29.0 (#2012) Bumps [uvicorn](https://github.com/encode/uvicorn) from 0.27.1 to 0.29.0. - [Release notes](https://github.com/encode/uvicorn/releases) - [Changelog](https://github.com/encode/uvicorn/blob/master/CHANGELOG.md) - [Commits](encode/uvicorn@0.27.1...0.29.0) --- updated-dependencies: - dependency-name: uvicorn dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pymatgen from 2024.2.23 to 2024.3.1 (#2013) Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2024.2.23 to 2024.3.1. - [Release notes](https://github.com/materialsproject/pymatgen/releases) - [Changelog](https://github.com/materialsproject/pymatgen/blob/master/docs/CHANGES.md) - [Commits](materialsproject/pymatgen@v2024.2.23...v2024.3.1) --- updated-dependencies: - dependency-name: pymatgen dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pydantic[email] from 2.6.2 to 2.6.4 (#2014) Bumps [pydantic[email]](https://github.com/pydantic/pydantic) from 2.6.2 to 2.6.4. - [Release notes](https://github.com/pydantic/pydantic/releases) - [Changelog](https://github.com/pydantic/pydantic/blob/main/HISTORY.md) - [Commits](pydantic/pydantic@v2.6.2...v2.6.4) --- updated-dependencies: - dependency-name: pydantic[email] dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump build from 1.0.3 to 1.1.1 (#2016) Bumps [build](https://github.com/pypa/build) from 1.0.3 to 1.1.1. - [Release notes](https://github.com/pypa/build/releases) - [Changelog](https://github.com/pypa/build/blob/main/CHANGELOG.rst) - [Commits](pypa/build@1.0.3...1.1.1) --- updated-dependencies: - dependency-name: build dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mypy from 1.8.0 to 1.9.0 (#2017) Bumps [mypy](https://github.com/python/mypy) from 1.8.0 to 1.9.0. - [Changelog](https://github.com/python/mypy/blob/master/CHANGELOG.md) - [Commits](python/mypy@v1.8.0...1.9.0) --- updated-dependencies: - dependency-name: mypy dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump rich from 13.7.0 to 13.7.1 (#2018) Bumps [rich](https://github.com/Textualize/rich) from 13.7.0 to 13.7.1. - [Release notes](https://github.com/Textualize/rich/releases) - [Changelog](https://github.com/Textualize/rich/blob/master/CHANGELOG.md) - [Commits](Textualize/rich@v13.7.0...v13.7.1) --- updated-dependencies: - dependency-name: rich dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump jarvis-tools from 2023.12.12 to 2024.3.4 (#2019) Bumps [jarvis-tools](https://github.com/usnistgov/jarvis) from 2023.12.12 to 2024.3.4. - [Release notes](https://github.com/usnistgov/jarvis/releases) - [Commits](https://github.com/usnistgov/jarvis/commits) --- updated-dependencies: - dependency-name: jarvis-tools dependency-type: direct:production update-type: version-update:semver-major ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pre-commit from 3.6.2 to 3.7.0 (#2015) Bumps [pre-commit](https://github.com/pre-commit/pre-commit) from 3.6.2 to 3.7.0. - [Release notes](https://github.com/pre-commit/pre-commit/releases) - [Changelog](https://github.com/pre-commit/pre-commit/blob/main/CHANGELOG.md) - [Commits](pre-commit/pre-commit@v3.6.2...v3.7.0) --- updated-dependencies: - dependency-name: pre-commit dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com> * Bump pytest-cov from 4.1.0 to 5.0.0 (#2011) Bumps [pytest-cov](https://github.com/pytest-dev/pytest-cov) from 4.1.0 to 5.0.0. - [Changelog](https://github.com/pytest-dev/pytest-cov/blob/master/CHANGELOG.rst) - [Commits](pytest-dev/pytest-cov@v4.1.0...v5.0.0) --- updated-dependencies: - dependency-name: pytest-cov dependency-type: direct:development update-type: version-update:semver-major ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com> * Bump mkdocstrings[python] from 0.24.0 to 0.24.1 (#2010) Bumps [mkdocstrings[python]](https://github.com/mkdocstrings/mkdocstrings) from 0.24.0 to 0.24.1. - [Release notes](https://github.com/mkdocstrings/mkdocstrings/releases) - [Changelog](https://github.com/mkdocstrings/mkdocstrings/blob/main/CHANGELOG.md) - [Commits](mkdocstrings/mkdocstrings@0.24.0...0.24.1) --- updated-dependencies: - dependency-name: mkdocstrings[python] dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com> * Update `pre-commit` hooks * Linting * Bump build from 1.1.1 to 1.2.1 Bumps [build](https://github.com/pypa/build) from 1.1.1 to 1.2.1. - [Release notes](https://github.com/pypa/build/releases) - [Changelog](https://github.com/pypa/build/blob/main/CHANGELOG.rst) - [Commits](pypa/build@1.1.1...1.2.1) --- updated-dependencies: - dependency-name: build dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> * Bump jarvis-tools from 2024.3.4 to 2024.3.30 Bumps [jarvis-tools](https://github.com/usnistgov/jarvis) from 2024.3.4 to 2024.3.30. - [Release notes](https://github.com/usnistgov/jarvis/releases) - [Commits](https://github.com/usnistgov/jarvis/commits/v2024.3.30) --- updated-dependencies: - dependency-name: jarvis-tools dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> * Bump pymongo from 4.6.2 to 4.6.3 Bumps [pymongo](https://github.com/mongodb/mongo-python-driver) from 4.6.2 to 4.6.3. - [Release notes](https://github.com/mongodb/mongo-python-driver/releases) - [Changelog](https://github.com/mongodb/mongo-python-driver/blob/master/doc/changelog.rst) - [Commits](mongodb/mongo-python-driver@4.6.2...4.6.3) --- updated-dependencies: - dependency-name: pymongo dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> * Bump mkdocs-material from 9.5.11 to 9.5.16 (#2025) * Bump mkdocs-material from 9.5.11 to 9.5.16 Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.11 to 9.5.16. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.11...9.5.16) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> * Update requirements-docs.txt * Linting --------- Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com> Co-authored-by: Matthew Evans <git@ml-evs.science> --------- Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com> Co-authored-by: Matthew Evans <git@ml-evs.science>

* Bump mkdocstrings[python] from 0.24.1 to 0.24.3 (#2028) Bumps [mkdocstrings[python]](https://github.com/mkdocstrings/mkdocstrings) from 0.24.1 to 0.24.3. - [Release notes](https://github.com/mkdocstrings/mkdocstrings/releases) - [Changelog](https://github.com/mkdocstrings/mkdocstrings/blob/main/CHANGELOG.md) - [Commits](mkdocstrings/mkdocstrings@0.24.1...0.24.3) --- updated-dependencies: - dependency-name: mkdocstrings[python] dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.3.4 to 0.3.5 (#2029) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.3.4 to 0.3.5. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.3.4...v0.3.5) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump fastapi from 0.110.0 to 0.110.1 (#2030) Bumps [fastapi](https://github.com/tiangolo/fastapi) from 0.110.0 to 0.110.1. - [Release notes](https://github.com/tiangolo/fastapi/releases) - [Commits](fastapi/fastapi@0.110.0...0.110.1) --- updated-dependencies: - dependency-name: fastapi dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocs-material from 9.5.16 to 9.5.17 (#2031) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.16 to 9.5.17. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.16...9.5.17) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com> * Bump jarvis-tools from 2024.3.30 to 2024.4.10 (#2033) Bumps [jarvis-tools](https://github.com/usnistgov/jarvis) from 2024.3.30 to 2024.4.10. - [Release notes](https://github.com/usnistgov/jarvis/releases) - [Commits](usnistgov/jarvis@v2024.3.30...v2024.4.10) --- updated-dependencies: - dependency-name: jarvis-tools dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.3.5 to 0.3.7 (#2034) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.3.5 to 0.3.7. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.3.5...v0.3.7) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pymatgen from 2024.3.1 to 2024.4.13 (#2035) Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2024.3.1 to 2024.4.13. - [Release notes](https://github.com/materialsproject/pymatgen/releases) - [Changelog](https://github.com/materialsproject/pymatgen/blob/master/docs/CHANGES.md) - [Commits](materialsproject/pymatgen@v2024.3.1...v2024.4.13) --- updated-dependencies: - dependency-name: pymatgen dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocs-material from 9.5.17 to 9.5.18 (#2036) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.17 to 9.5.18. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.17...9.5.18) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump fastapi from 0.110.1 to 0.110.2 (#2038) Bumps [fastapi](https://github.com/tiangolo/fastapi) from 0.110.1 to 0.110.2. - [Release notes](https://github.com/tiangolo/fastapi/releases) - [Commits](fastapi/fastapi@0.110.1...0.110.2) --- updated-dependencies: - dependency-name: fastapi dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.3.7 to 0.4.1 (#2039) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.3.7 to 0.4.1. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.3.7...v0.4.1) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump chuhlomin/render-template from 1.9 to 1.10 (#2040) Bumps [chuhlomin/render-template](https://github.com/chuhlomin/render-template) from 1.9 to 1.10. - [Release notes](https://github.com/chuhlomin/render-template/releases) - [Commits](chuhlomin/render-template@v1.9...v1.10) --- updated-dependencies: - dependency-name: chuhlomin/render-template dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mypy from 1.9.0 to 1.10.0 (#2041) Bumps [mypy](https://github.com/python/mypy) from 1.9.0 to 1.10.0. - [Changelog](https://github.com/python/mypy/blob/master/CHANGELOG.md) - [Commits](python/mypy@1.9.0...v1.10.0) --- updated-dependencies: - dependency-name: mypy dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pydantic[email] from 2.6.4 to 2.7.1 (#2043) Bumps [pydantic[email]](https://github.com/pydantic/pydantic) from 2.6.4 to 2.7.1. - [Release notes](https://github.com/pydantic/pydantic/releases) - [Changelog](https://github.com/pydantic/pydantic/blob/main/HISTORY.md) - [Commits](pydantic/pydantic@v2.6.4...v2.7.1) --- updated-dependencies: - dependency-name: pydantic[email] dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.4.1 to 0.4.2 (#2044) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.4.1 to 0.4.2. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.4.1...v0.4.2) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pymongo from 4.6.3 to 4.7.0 (#2045) Bumps [pymongo](https://github.com/mongodb/pymongo) from 4.6.3 to 4.7.0. - [Commits](https://github.com/mongodb/pymongo/commits) --- updated-dependencies: - dependency-name: pymongo dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pytest from 8.1.1 to 8.2.0 (#2046) Bumps [pytest](https://github.com/pytest-dev/pytest) from 8.1.1 to 8.2.0. - [Release notes](https://github.com/pytest-dev/pytest/releases) - [Changelog](https://github.com/pytest-dev/pytest/blob/main/CHANGELOG.rst) - [Commits](pytest-dev/pytest@8.1.1...8.2.0) --- updated-dependencies: - dependency-name: pytest dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocstrings[python] from 0.24.3 to 0.25.0 (#2047) Bumps [mkdocstrings[python]](https://github.com/mkdocstrings/mkdocstrings) from 0.24.3 to 0.25.0. - [Release notes](https://github.com/mkdocstrings/mkdocstrings/releases) - [Changelog](https://github.com/mkdocstrings/mkdocstrings/blob/main/CHANGELOG.md) - [Commits](mkdocstrings/mkdocstrings@0.24.3...0.25.0) --- updated-dependencies: - dependency-name: mkdocstrings[python] dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocs from 1.5.3 to 1.6.0 (#2037) Bumps [mkdocs](https://github.com/mkdocs/mkdocs) from 1.5.3 to 1.6.0. - [Release notes](https://github.com/mkdocs/mkdocs/releases) - [Commits](mkdocs/mkdocs@1.5.3...1.6.0) --- updated-dependencies: - dependency-name: mkdocs dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocs-material from 9.5.18 to 9.5.19 (#2042) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.18 to 9.5.19. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.18...9.5.19) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com> * Update `pre-commit` hooks * Bump pymongo from 4.7.0 to 4.7.1 (#2050) Bumps [pymongo](https://github.com/mongodb/mongo-python-driver) from 4.7.0 to 4.7.1. - [Release notes](https://github.com/mongodb/mongo-python-driver/releases) - [Changelog](https://github.com/mongodb/mongo-python-driver/blob/master/doc/changelog.rst) - [Commits](mongodb/mongo-python-driver@4.7.0...4.7.1) --- updated-dependencies: - dependency-name: pymongo dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mike from 2.0.0 to 2.1.1 (#2051) Bumps [mike](https://github.com/jimporter/mike) from 2.0.0 to 2.1.1. - [Release notes](https://github.com/jimporter/mike/releases) - [Changelog](https://github.com/jimporter/mike/blob/master/CHANGES.md) - [Commits](jimporter/mike@v2.0.0...v2.1.1) --- updated-dependencies: - dependency-name: mike dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocstrings[python] from 0.25.0 to 0.25.1 (#2052) Bumps [mkdocstrings[python]](https://github.com/mkdocstrings/mkdocstrings) from 0.25.0 to 0.25.1. - [Release notes](https://github.com/mkdocstrings/mkdocstrings/releases) - [Changelog](https://github.com/mkdocstrings/mkdocstrings/blob/main/CHANGELOG.md) - [Commits](mkdocstrings/mkdocstrings@0.25.0...0.25.1) --- updated-dependencies: - dependency-name: mkdocstrings[python] dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump fastapi from 0.110.2 to 0.111.0 (#2054) Bumps [fastapi](https://github.com/tiangolo/fastapi) from 0.110.2 to 0.111.0. - [Release notes](https://github.com/tiangolo/fastapi/releases) - [Commits](fastapi/fastapi@0.110.2...0.111.0) --- updated-dependencies: - dependency-name: fastapi dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.4.2 to 0.4.3 (#2055) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.4.2 to 0.4.3. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.4.2...v0.4.3) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pymatgen from 2024.4.13 to 2024.5.1 (#2056) Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2024.4.13 to 2024.5.1. - [Release notes](https://github.com/materialsproject/pymatgen/releases) - [Changelog](https://github.com/materialsproject/pymatgen/blob/master/docs/CHANGES.md) - [Commits](materialsproject/pymatgen@v2024.4.13...v2024.5.1) --- updated-dependencies: - dependency-name: pymatgen dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump mkdocs-material from 9.5.19 to 9.5.22 (#2058) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.19 to 9.5.22. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.19...9.5.22) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pymongo from 4.7.1 to 4.7.2 (#2059) Bumps [pymongo](https://github.com/mongodb/mongo-python-driver) from 4.7.1 to 4.7.2. - [Release notes](https://github.com/mongodb/mongo-python-driver/releases) - [Changelog](https://github.com/mongodb/mongo-python-driver/blob/master/doc/changelog.rst) - [Commits](mongodb/mongo-python-driver@4.7.1...4.7.2) --- updated-dependencies: - dependency-name: pymongo dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pre-commit from 3.7.0 to 3.7.1 (#2060) Bumps [pre-commit](https://github.com/pre-commit/pre-commit) from 3.7.0 to 3.7.1. - [Release notes](https://github.com/pre-commit/pre-commit/releases) - [Changelog](https://github.com/pre-commit/pre-commit/blob/main/CHANGELOG.md) - [Commits](pre-commit/pre-commit@v3.7.0...v3.7.1) --- updated-dependencies: - dependency-name: pre-commit dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump ruff from 0.4.3 to 0.4.4 (#2061) Bumps [ruff](https://github.com/astral-sh/ruff) from 0.4.3 to 0.4.4. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.4.3...v0.4.4) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Update OpenAPI schemas --------- Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com> Co-authored-by: Matthew Evans <git@ml-evs.science>

* Bump mkdocs-material from 9.5.22 to 9.5.23 (#2062) Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.22 to 9.5.23. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.22...9.5.23) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Bump pytest from 8.2.0 to 8.2.1 (#2063) Bumps [pytest](https://github.com/pytest-dev/pytest) from 8.2.0 to 8.2.1. - [Release notes](https://github.com/pytest-dev/pytest/releases) - [Changelog](https://github.com/pytest-dev/pytest/blob/main/CHANGELOG.rst) - [Commits](pytest-dev/pytest@8.2.0...8.2.1) --- updated-dependencies: - dependency-name: pytest dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Update `pre-commit` hooks * Silence internal pytest warning * Remove spurious warning again * Bump requests from 2.31.0 to 2.32.3 Bumps [requests](https://github.com/psf/requests) from 2.31.0 to 2.32.3. - [Release notes](https://github.com/psf/requests/releases) - [Changelog](https://github.com/psf/requests/blob/main/HISTORY.md) - [Commits](psf/requests@v2.31.0...v2.32.3) --- updated-dependencies: - dependency-name: requests dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> * Bump mkdocs-material from 9.5.23 to 9.5.25 Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.5.23 to 9.5.25. - [Release notes](https://github.com/squidfunk/mkdocs-material/releases) - [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG) - [Commits](squidfunk/mkdocs-material@9.5.23...9.5.25) --- updated-dependencies: - dependency-name: mkdocs-material dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> * Bump ase from 3.22.1 to 3.23.0 --- updated-dependencies: - dependency-name: ase dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> * Bump pydantic[email] from 2.7.1 to 2.7.2 Bumps [pydantic[email]](https://github.com/pydantic/pydantic) from 2.7.1 to 2.7.2. - [Release notes](https://github.com/pydantic/pydantic/releases) - [Changelog](https://github.com/pydantic/pydantic/blob/main/HISTORY.md) - [Commits](pydantic/pydantic@v2.7.1...v2.7.2) --- updated-dependencies: - dependency-name: pydantic[email] dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> * Bump ruff from 0.4.4 to 0.4.7 Bumps [ruff](https://github.com/astral-sh/ruff) from 0.4.4 to 0.4.7. - [Release notes](https://github.com/astral-sh/ruff/releases) - [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md) - [Commits](astral-sh/ruff@v0.4.4...v0.4.7) --- updated-dependencies: - dependency-name: ruff dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <support@github.com> * Bump uvicorn from 0.29.0 to 0.30.1 Bumps [uvicorn](https://github.com/encode/uvicorn) from 0.29.0 to 0.30.1. - [Release notes](https://github.com/encode/uvicorn/releases) - [Changelog](https://github.com/encode/uvicorn/blob/master/CHANGELOG.md) - [Commits](encode/uvicorn@0.29.0...0.30.1) --- updated-dependencies: - dependency-name: uvicorn dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> --------- Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Matthew Evans <git@ml-evs.science>

Add new space group fields and outline tests Use constr for pydantic v1 instead of field regexp Remove space from regexp Fix outstanding discrepancies with specification Update test with new number of properties

ml-evs force-pushed the ml-evs/add_space_group_support branch from 5a8559c to ea2009b Compare December 6, 2022 19:45

ml-evs added schema Concerns the schema models models For issues related to the pydantic models directly OPTIMADE v1.2 This label describes actions that have to be taken to be complient with OPTIMADE 1.2 on-hold For PRs/issues that are on-hold for an unspecified time labels Dec 6, 2022

JPBergsma and others added 25 commits October 13, 2023 17:15

Update requirements-client.txt (#1813)

cf45488

removed duplicate requirement

Fix optional dependency group naming

e099e8e

- Reintroduce `http_client` extra as an alias for `http-client`

Fix all validators and StrictField

e9fff07

Major breakthrough - fixing ServerConfig

a53dfc8

Update codebase according to mypy

6ac5209

Update ways to work with JSON schema

e809cbe

Still need to pass in a proper REF_TEMPLATE.

Update dependencies

a9bd67a

Remove mp-api and emmet-core dependencies Remove emmet-core from requirements file as well Update mkdocstrings dependency in requirements file

Fix docs building

4719b3c

Use the new Python handler for mkdocstrings - updating the configuration in all_models.md to include all submodules for optimade.models.

Fixed the final issue(s)

ad2e5a2

Needed to properly ONLY check if annotation was Union or Optional before using `get_args()`. Otherwise a type required as a list of strings is unpacked to `str`, which we do not want.

Use Py3.9-compliant typing

295dac1

Remove nullable field from properties

550899c

This is no longer part of the OpenAPI spec as of v3.1. Fixes #1814

Use typing.Annotated throughout, where possible

f852e1f

Also update some static typing here and there.

Satisfy mypy all around

4abf3f3

- Avoid running mypy on tests folder. - Remove mypy ignore statements from tests - Revert to having implicit Optional

Use ClassVar instead of PrivateAttr

f2ad2ac

Final fixup

379110c

- Tidy up changes re: `Datatype` - Revert to using `typing.Callable` due to old Python 3.9 bug - Move docstring note about dates back to config of Response model - Revert class name from `Datatype` back to `DataType` - Remove defunct comment

Comment: Fixed an inappropriate test expression to remove a logical s…

39a423e

…hort circuit. (#1838)

More robust provider fetching in client

7735295

Add click version option for client

2970d9a

Add a test that checks whether at least one database can be found in …

55e2dd0

…OPTIMADE consortia (#1849)

dependabot bot and others added 29 commits December 27, 2023 23:19

Add upper pin to numpy in preparation for numpy v2 (#1928)

c3ed532

Release v1.0.2 - Changelog

9452121

mkdocs fix global setting of members: true (#1936)

6f76250

Client: attempt to switch to synchronous mode when existing event loo…

b646a0a

…p is detected (#1940)

Add upper pin for pandas and ignore warning (#1945)

0013b2a

Add requests timeout when getting providers list (#1955)

fe4995d

Fix release workflow (#1959)

a29b95b

Release v1.0.3 - Changelog

9b4ae9f

Use simple bools in pymatgen Structure converter (#2021)

a1a71b9

Release v1.0.4 - Changelog

93ae8a0

Add skip_ssl flag/option to client (#2086)

5d50f2f

Release v1.0.5 - Changelog

5d47531

Add symmetry fields to structure model

2033b86

Add new space group fields and outline tests Use constr for pydantic v1 instead of field regexp Remove space from regexp Fix outstanding discrepancies with specification Update test with new number of properties

ml-evs force-pushed the ml-evs/add_space_group_support branch from 0480e57 to 2033b86 Compare June 11, 2024 14:47

Provide feedback

Saved searches

Use saved searches to filter your results more quickly

Add new symmetry fields to structure model #1422

Add new symmetry fields to structure model #1422

ml-evs commented Dec 6, 2022 •

edited

Loading

Add new symmetry fields to structure model #1422

Are you sure you want to change the base?

Add new symmetry fields to structure model #1422

Conversation

ml-evs commented Dec 6, 2022 • edited Loading

ml-evs commented Dec 6, 2022 •

edited

Loading