v1.0.6

This release updates some problematic dependencies and adds some quality of life updates around validation.

Changelog

v1.0.6 (2024-06-22)

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Closed issues:

• Publish on PyPI using a Trusted Publisher #2085

Merged pull requests:

• Validate property names against identifier regular expression #2097 (@merkys)
• Add a validator CLI option to set the --random-seed for deterministic validation #2096 (@merkys)
• Try to add ignores for elasticsearch and pymatgen #2091 (@ml-evs)
• Update dependency management and CI/CD workflows #2087 (@CasperWA)

* This Changelog was automatically generated by github_changelog_generator

v1.0.5

This release simply updates dependencies and adds a --skip-ssl/skip_ssl CLI flag/option for disabling SSL verification in the client.

Changelog

v1.0.5 (2024-06-11)

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Closed issues:

• Fly has marked us as "high risk" and needs a credit card to unlock #2027

Merged pull requests:

• Add skip_ssl flag/option to client #2086 (ml-evs)

* This Changelog was automatically generated by github_changelog_generator

v1.0.4

Changelog

v1.0.4 (2024-03-29)

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Closed issues:

• Asking a syntax of paging #2020

Merged pull requests:

• Use simple bools in pymatgen Structure converter #2021 (ml-evs)

* This Changelog was automatically generated by github_changelog_generator

v1.0.3

v1.0.3 (2024-01-30)

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Fixed bugs:

• Add requests timeout when getting providers list #1955 (ml-evs)

Merged pull requests:

• Fix release workflow #1959 (ml-evs)
• Bump providers from 46c8d85 to ad0e214 #1948 (dependabot[bot])
• Bump providers from 97c69be to 46c8d85 #1946 (dependabot[bot])
• Add upper pin for pandas and ignore pandas3/pyarrow deprecation warning #1945 (ml-evs)
• Bump providers from 93d2b52 to 97c69be #1941 (dependabot[bot])
• Client: attempt to switch to synchronous mode when existing event loop is detected #1940 (ml-evs)
• mkdocs fix global setting of members: true #1936 (ml-evs)
• Allow backported releases in CI #1933 (ml-evs)

* This Changelog was automatically generated by github_changelog_generator

v0.25.5

Changelog

v0.25.5 (2024-01-30)

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What's changed?

• [BACKPORT] Add pandas upper pin and Ignore pyarrow deprecation by @ml-evs in #1958
• [BACKPORT] Add requests timeout when getting providers list by @ml-evs in #1956

v1.0.2

Changelog

v1.0.2 (2024-01-11)

Full Changelog

Implemented enhancements:

• Client: counting number of matching entries when data_returned is not available #1924
• Client: add ability to count the number of matches for a filter using binary search over pagination #1925 (ml-evs)

Merged pull requests:

• Add upper pin to numpy in preparation for v2 #1928 (ml-evs)
• Bump providers from d8322a4 to 93d2b52 #1926 (dependabot[bot])
• Bump providers from 564a499 to d8322a4 #1909 (dependabot[bot])

* This Changelog was automatically generated by github_changelog_generator

v0.25.4

Changelog

v0.25.4 (2024-01-11)

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What's Changed

• Pin numpy in 0.25.x series by @ml-evs in #1929
• Attempt to allow publishing release from backport branches in CI by @ml-evs in #1931
• More attempts to fix-up CI for backport releases by @ml-evs in #1932

Full Changelog: v0.25.3...v0.25.4

v1.0.1

v1.0.1 (2023-12-04)

This release simply adds a new validator test that will trigger an "optional failure" if any endpoints do not return any results under the data key.

Full Changelog

Closed issues:

• Validator does not error on empty endpoints #1890
• Provider fields not served when already prefixed in database #1883
• Other potential bandaids to pull off before v1.0.0 #1847

Merged pull requests:

• Add optional test for whether entry endpoints have any actual entries #1891 (ml-evs)

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v1.0.0

v1.0.0 (2023-11-09)

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optimade-python-tools has reached v1.0.0!

We have decided to make this first major release at this point due to the arduous migration to pydantic v2 between v1.0.0 and v0.25.3. This will allow for improved compatibility with the rest of the ecosystem, plus all of the performance and ergonomics benefits of the new pydantic.

If you are using optimade-python-tools primarily as a library, then you may need to make some code changes to support the new version. For example, the underlying API for dealing with the pydantic models has changed (e.g., model.dict() is now model.model_dump()) -- a full migration guide can be found in the pydantic docs. Additionally, any cases where the underlying JSON schemas were being modified may need to be updated; internally we are pretty much exclusively operating on the pydantic model objects without needing to modify the raw schemas anymore.

Going forward, v1.0.x will be the last series to support v1.1 of the OPTIMADE specification, with future versions of the package v1.x.y adding features from the pre-release of OPTIMADE v1.2.

A branch will be maintained for the v0.25.x series will be maintained for those who are stuck on pydantic v1 and run into bugs. Please make it clear in any bug reports if you are using this version.

Fixed bugs:

• Deserialization regressions: cannot resolve child databases in client #1843
• Performance regressions following pydantic update #1835

Closed issues:

• Fly is using the wrong config file #1869
• Python 3.12 support #1859
• Remove nullable from schemas (for OpenAPI 3.1) #1814

Merged pull requests:

• Add Python 3.12 to CI #1858 (ml-evs)
• Add test that checks whether client can find at least one base URL #1849 (ml-evs)
• Make client provider scraper more robust and add --version #1848 (ml-evs)
• Fix incorrect 'smart' union discrimination #1844 (ml-evs)
• CI performance refresh #1836 (ml-evs)
• Modernize all Python 3.8 annotations #1815 (ml-evs)
• Migration to pydantic v2 #1745 (ml-evs)

* This Changelog was automatically generated by github_changelog_generator

v0.25.3

v0.25.3 (2023-09-29)

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Merged pull requests:

• Add mp-api and emmet pins to avoid premature pydantic v2 upgrade #1795 (ml-evs)
• Debugging links->next issues #1794 (ml-evs)
• Add option for custom landing pages #1788 (ml-evs)
• Add config option mongo_count_timeout to skip the global count per request #1757 (ml-evs)

* This Changelog was automatically generated by github_changelog_generator