v1.2.4

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v1.2.4 (2025-03-21)

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Fixed bugs:

• Division by zero errors with version 1.2.3 #2254
• Fix divide by zero when no data is returned #2255 (@ml-evs)

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v1.2.3

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v1.2.3 (2025-03-20)

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Users of the OptimadeClient are recommended to install this update.

This release fixes a nasty issue with the client that can cause it to hang infinitely when an malformed OPTIMADE API continues to return next_url with no additional data (thanks to @mehmetgiritli for the report and fix!) It also reduces the default MongoDB timeout when counting how many results are in a filter. As this count is performed for every page of queries, the previous high timeout could effectively set a minimum response time of 5 seconds. Issue #2251 tracks future improvements to this behaviour.

Fixed bugs:

• Client can be forced into infinite loop by bad API responses #2249
• Expand infinite loop fix to have hardcoded guard rail #2250 (@ml-evs)
• Stop pagination when last response contains no data #2248 (@mehmetgiritli)

Closed issues:

• Can I use the optimade JSON serialization to store ASE atoms? #2246

Merged pull requests:

• Drastically reduce the default Mongo count timeout #2247 (@ml-evs)

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v1.2.2

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v1.2.2 (2025-03-16)

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Fixed bugs:

• Unable to create filters with "+" in nested property name #2182

Merged pull requests:

• Use 1.2 grammar by default and relax rules on nested fields #2242 (@ml-evs)

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v.1.2.1

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v1.2.1 (2025-03-06)

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Fixed bugs:

• update_openapijson invoke task is not idempotent #1429
• anyOf, allOf, etc. in /info/{entry_type} endpoints #775
• API does not return milliseconds in datetimes even when present in underlying data #606
• CheckWronglyVersionedBaseUrls middleware not working for Dockerized servers #520

Closed issues:

• Support new meta->request_delay field #1418
• Support request_delay meta value in client #1247

Merged pull requests:

• Add remaining symmetry group fields (Hall, HM symbols, IT number) #2240 (@ml-evs)
• Add support for request_delay in client and server #2237 (@ml-evs)
• Add support for space_group_symmetry_operations_xyz #2236 (@ml-evs)

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v1.2.0

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v1.2.0 (2025-02-25)

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This v1.2.0 release is coincidentally the first to support some features from OPTIMADE v1.2.0, namely the specification of licenses. Support for other 1.2 fields (e.g., symmetry, partial data etc.) will come in future releases based on demand. As the optimade.__api_version__ has been bumped, servers running optimade-python-tools will now have versioned endpoints for /v1 and /v1.2, but not /v1.1. For now, only one OPTIMADE API version is targeted by each optimade-python-tools version, as listed in the README. If you need any changes backported to the v1.1.x branch, please raise an issue.

Fixed bugs:

• Retain next_url value in responses from OptimadeClient #2233 (@mehmetgiritli)

Closed issues:

• I #2225
• Ability to dynamically skip erroneous entries #2166

Merged pull requests:

• Allow overriding request URL in OptimadeClient #2234 (@mehmetgiritli)
• Add configurable license and available_licenses info fields #2224 (@ml-evs)

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v1.1.11

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v1.1.11 (2025-02-07)

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Closed issues:

• Overzealous validation of disordered structures #2221
• Support for specifying database licenses #1254

Merged pull requests:

• Add config option exit_after_insert to exit API after inserting data #2223 (@ml-evs)
• Remove overly strict validation of disordered structures #2222 (@ml-evs)

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v1.1.10

v1.1.10 (2025-01-27)

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Merged pull requests:

• Make sure any relationships or links are ingested when consuming JSONL #2212 (@ml-evs)
• [pre-commit.ci] pre-commit autoupdate #2193 (@pre-commit-ci[bot])
• Bump codecov/codecov-action from 4 to 5 in the github-actions group #2181 (@dependabot[bot])

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v1.1.9

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v1.1.9 (2025-01-04)

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Fixed bugs:

• Fix issue with mongodb+srv:// URIs #2205 (@ml-evs)

Closed issues:

• aligning mongo_uri/database breaks connecting to Atlas cluster #2197

Merged pull requests:

• Do not use jarvis on Python 3.13 #2207 (@ml-evs)

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v1.1.8

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v1.1.8 (2024-12-27)

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Merged pull requests:

• Catch error for invalid URI. #2201 (@JPBergsma)

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v1.1.7

What's Changed

• Give warning instead of error for wrong mongo URI by @JPBergsma in #2198

Full Changelog: v1.1.6...v1.1.7

Changelog

v1.1.7 (2024-12-16)

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Closed issues:

• aligning mongo_uri/database breaks connecting to Atlas cluster #2197
• help me to download any compositional based material #2196

Merged pull requests:

• Give warning instead of error for wrong mongo URI #2198 (@JPBergsma)

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