v0.16.7

Chemical formula validation

This release primarily makes chemical formula validation more strict and succinct, by encoding it within our OpenAPI specification itself. There is an additional bugfix related to anonymous chemical formulae, which would be incorrectly marked as valid, even if the elements were in the wrong order, in certain cases. Finally, this release removes some older pre-release versions of the filter grammar, and adds a new 1.2.0~develop version. Anyone depending on a pre-1.0 grammar can simply download the old files from 0.16.6.

Changelog

v0.16.7 (2021-11-21)

Full Changelog

Implemented enhancements:

• Automate dependency workflow further #958
• Stricter validation of chemical formulas in OpenAPI schema #708

Fixed bugs:

• chemical_formula_anonymous validator accepts incorrect proportion order if started with 1 #1002
• Reinstate typing-extensions #999
• Updating permanent dependabot branch not working after updating dependencies #995
• Auto-merge dependabot PR-workflow not running #984

Closed issues:

• Update the auto-PR description for updating deps #988
• Versioned docs do not redirect all links correctly #977
• Missing support for timestamps/datetime in grammar #102

Merged pull requests:

• Fixed bug in check_anonymous_formula which caused chemical_formula_anonymous = AB2 to pass validation. #1001 (JPBergsma)
• Use diff for checking PR body #1000 (CasperWA)
• Update dependencies #998 (CasperWA)
• Correct PR body comparison #996 (CasperWA)
• Update dependencies #993 (CasperWA)
• Update dependencies #991 (CasperWA)
• Update dependency auto-PR message #989 (ml-evs)
• Update dependencies #987 (CasperWA)
• Stricter formula syntax #986 (merkys)
• Implement workflows for dependency updates #979 (CasperWA)
• Tidy up old grammars, add a development grammar for v1.2 and update filterparser tests #879 (ml-evs)

* This Changelog was automatically generated by github_changelog_generator

v0.16.6

Release to test release workflow

This release comes immediately after v0.16.5 and is a test-release, meant to test the CD for deploying a release-specific documentation (as well as the rest of the CD release workflow).

Changelog

v0.16.6 (2021-10-19)

Full Changelog

Merged pull requests:

• Put docs release deployment in separate job #978 (CasperWA)

* This Changelog was automatically generated by github_changelog_generator

v0.16.5

Versioned documentation

The main point of this release revolves around the new "versioned documentation".
The documentation of OPTIMADE Python tools has been updated to be available in all the various versions that have supported documentation builds using MkDocs, i.e., back to v0.9.0.
The versioning is supported and deployed by the mike tool.

Changelog

v0.16.5 (2021-10-18)

Full Changelog

Closed issues:

• 'elements_ratios' model validator uses double-precision machine epsilon - could be relaxed #947
• Versioning in Docs #724

Merged pull requests:

• Update dependencies #974 (CasperWA)
• Fix option value for checkout in CD Docs workflow #972 (CasperWA)
• Correct default branch name to master #971 (CasperWA)
• Dependabot updates for v0.16.5 #964 (ml-evs)
• Automate versioned documentation #951 (CasperWA)
• Add JOSS citation #949 (ml-evs)
• Some validation QoL tweaks #948 (ml-evs)

* This Changelog was automatically generated by github_changelog_generator

v0.16.4

v0.16.4 (2021-09-20)

Full Changelog

Closed issues:

• Code check fails because there is no valid version of jsmin #938
• Be properly compliant with the new pip resolver #625

Merged pull requests:

• Bump providers from 357c27b to fb05359 #945 (dependabot[bot])
• Bump providers from 368f9f6 to 357c27b #944 (dependabot[bot])
• Bump providers from 91b51bd to 368f9f6 #942 (dependabot[bot])
• remove the dependency on mkdocs-minify because of issue #938. #941 (JPBergsma)
• Corrected command to call uvicorn server #937 (JPBergsma)
• Use proper pip dependency resolver in publish workflow #935 (ml-evs)
• Dependency updates for v0.16.4 #901 (ml-evs)
• Add JOSS paper #804 (ml-evs)

v0.16.3

v0.16.3 (2021-09-02)

Full Changelog

Implemented enhancements:

• Add validation that anonymous/reduced chemical formulae are in fact reduced #913

Fixed bugs:

• No error/warning when specifying a config file that does not exist #930
• Docker tests failing in CI: http://gh_actions_host no longer exists? #906
• Fix config file warnings when file is missing #931 (ml-evs)

Closed issues:

• Docs don't introduce the idea of "models" #910
• Docs don't mention anything about where to go for support #909
• run.sh does not appear to be available from the pip installation #904
• Missing guide for how to set up an implementation from existing database #176

Merged pull requests:

• Add tutorial-style guide on setting up an API #915 (ml-evs)
• Add validator to check whether anonymous and reduced formulae are reduced #914 (ml-evs)
• Clarify the "all models" documentation page #912 (ml-evs)
• Add more specific 'Getting Help' info to Contributing and README #911 (ml-evs)
• Bump Materials-Consortia/optimade-validator-action from 2.5.0 to 2.6.0 #907 (dependabot[bot])
• Clarify installation methods by use-case #905 (ml-evs)
• Relax response top-level root validator #903 (CasperWA)
• Add integrated app docs, tweak other use case docs #883 (ml-evs)

v0.16.2

v0.16.2 (2021-08-06)

Full Changelog

Fixed bugs:

• Provider fallbacks are still not working #896
• Fix provider fallbacks #897 (ml-evs)

Merged pull requests:

• Dependency updates for v0.16.2 #894 (ml-evs)
• Bump codecov/codecov-action from 2.0.1 to 2.0.2 #882 (dependabot[bot])
• Bump codecov/codecov-action from 1.5.2 to 2.0.1 #878 (dependabot[bot])

v0.16.1

v0.16.1 (2021-07-15)

Full Changelog

Implemented enhancements:

• Change MIME type to application/vnd.api+json where appropriate #875
• Minor corrections + use model aliases for handle_response_fields() #876 (CasperWA)

Fixed bugs:

• Wrong behaviour HAS ONLY query for MongoDB #810
• Correct the behaviour of HAS ONLY with MongoDB backend #861 (JPBergsma)

Merged pull requests:

• Change default MIME type to "application/vnd.api+json" #877 (ml-evs)
• Update elements description to match specification #874 (ml-evs)

v0.16.0

v0.16.0 (2021-07-06)

Full Changelog

Closed issues:

• Incoming model update (new field: issue_tracker) #592

Merged pull requests:

• Add issue_tracker field to provider model #593 (ml-evs)

v0.15.5

v0.15.5 (2021-07-04)

Full Changelog

Fixed bugs:

• NOT filter operation of mongo query for complex expressions #79

Closed issues:

• Remove CI psycopg2-binary install when aiida-core>1.6.3 #855
• Pytest fails at Setup environment for AiiDA #853
• Add timeout parameter to validator #681
• Add note in installation instructions about pulling submodule for providers #370

Merged pull requests:

• Update dependencies #872 (ml-evs)
• Add request --timeout parameter to validator #860 (ml-evs)
• Bump providers from fa25ed3 to 91b51bd #858 (dependabot[bot])
• Update to AiiDA v1.6.4 and remove CI fix #857 (CasperWA)
• Temporary fix for CI tests with AiiDA #854 (CasperWA)
• Documentation tweaks #852 (JPBergsma)
• Fix query negation in MongoDB #814 (JPBergsma)

v0.15.4

v0.15.4 (2021-06-15)

Full Changelog

Implemented enhancements:

• Missing documentation for new configuration methods #766

Closed issues:

• Add docs "use case" for the validator #841
• Use specific configuration file for Heroku deployment #738
• Potential submission to JOSS? #203
• Add more tests #104

Merged pull requests:

• Tweak configuration docs #851 (ml-evs)
• Add some more tutorial-style documentation #850 (ml-evs)
• Bump FastAPI version in setup.py #849 (CasperWA)
• Bump fastapi from 0.65.1 to 0.65.2 #848 (dependabot[bot])