v0.4.0

Support Python 3.8 - 3.10

From this version on, the OPTIMADE Gateway drops support for Python 3.7, but adds support for Python 3.10.

Changelog

v0.4.0 (2022-09-28)

Full Changelog

Merged pull requests:

• Update dependencies #301 (CasperWA)

* This Changelog was automatically generated by github_changelog_generator

v0.3.0

Accumulated updates over ~1 year

This update includes the accumulated updates over a period of ~1 year's time.

Furthermore, this will be the last version to support Python 3.7.

Changelog

v0.3.0 (2022-09-19)

Full Changelog

Fixed bugs:

• FastAPI safety issues #281
• pylint rules seems to be stricter #253
• Fix type for auto-merge workflow #238
• Pushing in automerge CI workflow not working #179
• Auto-merge CD workflow not working #177
• Resetting ci/dependabot-updates branch failing #174
• Single dependabot PR workflow failing #167
• Update mcdb name #296 (CasperWA)

Closed issues:

• More verbose in main push CI job #184
• Add pre-commit hooks autoupdate to CI #183

Merged pull requests:

• Update dependencies #300 (CasperWA)
• Update dependencies #298 (CasperWA)
• Update dependencies #293 (CasperWA)
• Update dependencies #290 (CasperWA)
• Update dependencies #288 (CasperWA)
• Update dependencies #286 (CasperWA)
• Update dependencies #285 (CasperWA)
• Update dependencies #282 (CasperWA)
• Remove no-self-use disables #280 (CasperWA)
• Update dependencies #277 (CasperWA)
• Update dependencies #271 (CasperWA)
• Update dependencies #269 (CasperWA)
• Update dependencies #267 (CasperWA)
• Update dependencies #264 (CasperWA)
• Update dependencies #262 (CasperWA)
• Update dependencies #261 (CasperWA)
• Update dependencies #258 (CasperWA)
• Update dependencies #250 (CasperWA)
• Update dependencies #248 (CasperWA)
• Update dependencies #246 (CasperWA)
• Update dependencies #242 (CasperWA)
• Use ID! type instead of String! #239 (CasperWA)
• Update dependencies #237 (CasperWA)
• Update dependencies #235 (CasperWA)
• Update dependencies #232 (CasperWA)
• Update dependencies #227 (CasperWA)
• Update dependencies #223 (CasperWA)
• Update dependencies #219 (CasperWA)
• Update dependencies #217 (CasperWA)
• Update dependencies #210 (CasperWA)
• Update dependencies #209 (CasperWA)
• Update dependencies #207 (CasperWA)
• Update dependencies #205 (CasperWA)
• Update dependencies #202 (CasperWA)
• Update dependencies #198 (CasperWA)
• Update dependencies #197 (CasperWA)
• Update dependencies #196 (CasperWA)
• Be more verbose in CI/CD workflows #191 (CasperWA)
• Update pre-commit hooks in dependabot CI #186 (CasperWA)
• Update dependencies #182 (CasperWA)
• Use PAT for pushing to activate CI jobs #181 (CasperWA)
• Use push action for pushing to dependabot branch #180 (CasperWA)
• Use ref instead of sha #178 (CasperWA)
• Update dependencies #173 (CasperWA)
• Wrap def in quotations and change to single quote #168 (CasperWA)

* This Changelog was automatically generated by github_changelog_generator

v0.2.2

Finalize automation

Updating dependencies is now fully automized, with the Dependabot PRs being auto-merged into the permanent Dependabot branch if all CI checks succeed.
Furthermore, it will run the invoke task that updates the pytest config file concerning dependencies and pushes it to the PR head branch before enabling auto-merge.

Changelog

v0.2.2 (2021-10-05)

Full Changelog

Fixed bugs:

• Fix auto-merge workflow to actually run #165
• Reset ci/dependabot-updates after merging ci/update-dependencies #131

Closed issues:

• Activate auto-merge for Dependabot PRs #162
• Move automatic ci/update-dependencies PR to Tuesday or Friday #160

Merged pull requests:

• Move check for dependabot head branch to job #166 (CasperWA)
• New auto-merge CI for dependabot PRs #163 (CasperWA)
• Reset ci/dependabot-updates branch upon merge to main #161 (CasperWA)

* This Changelog was automatically generated by github_changelog_generator

v0.2.1

Updated automation

The documentation has been upgraded to be versioned and for every push to main, the latest version will be updated.
On every release, a new version will be added, and the stable alias will be pointed to the new version.

Dependabot updates are now being pointed towards another "permanent" branch, and once a week a PR will be created to merged a copy of this branch into the main branch.

Changelog

v0.2.1 (2021-10-04)

Full Changelog

Implemented enhancements:

• Run keep-up-to-date workflow immediately with push #140
• Update to versioned documentation #132
• Use bandit, pylint, safety, and mypy #119 (CasperWA)

Fixed bugs:

• GH Release action overwrites release description #155
• Fix condition in main docs deployment #152
• Properly authenticate the use of gh api in workflow #150
• Double documentation deploy during release #145
• Allow beta/alpha releases #143
• Use protected-push action for keep-up-to-date workflow #138
• Workflow not working #133
• Attempt with fetch-depth 0 #154 (CasperWA)
• Set git config before mike deploy #144 (CasperWA)
• Use git push instead of action #136 (CasperWA)

Closed issues:

• Update cron timings for dependency workflows #147
• Use gh-pages in documentation deploy workflows #142

Merged pull requests:

• Update dependencies #159 (CasperWA)
• Deploy docs to gh-pages branch #157 (CasperWA)
• Use GH CLI instead of release action #156 (CasperWA)
• Fix conditional docs main build #153 (CasperWA)
• Add GITHUB_TOKEN env var to authenticate gh CLI #151 (CasperWA)
• Fix double docs deployment on release #149 (CasperWA)
• Update cron times #148 (CasperWA)
• Update dependencies #146 (CasperWA)
• Run up-to-date workflow immediately upon push #141 (CasperWA)
• Push via CasperWA/push-protected action #139 (CasperWA)
• Use versioned documentation #137 (CasperWA)
• Fetch everything and ensure correct checkout #135 (CasperWA)
• Attempt to fix workflow #134 (CasperWA)
• Run dependabot workflow more often #130 (CasperWA)
• Only update permanent dependabot branch after CI #127 (CasperWA)
• Don't use env outside of usable scope #126 (CasperWA)
• Setup dependabot automation #125 (CasperWA)
• Don't load providers on startup by default #121 (CasperWA)
• Update pylint requirement from ~=2.10 to ~=2.11 #120 (dependabot[bot])

* This Changelog was automatically generated by github_changelog_generator

v0.2.0

Re-design - remove gateway-as-an-OPTIMADE-DB

With the merge of #82, the repository has been slightly re-designed to optimize its purpose and base code.

Instead of having every dynamically generated gateway have its own OPTIMADE DB representation, with all the valid introspective endpoints etc., it is simply another resource. This focuses the package to conduct all queries using the QueryResource - minimizes the code and confusion, and should make the usage easier to grasp.

The proper entry points to using the gateway service is to go through GET /search or POST /search and that's it.
All other endpoints are service or semi-introspective endpoints that the gateway uses internally (/databases, /gateways) or the user is sent to when receiving their query results (/queries). No more - no less.

It is still possible to return a response that will validate as an OPTIMADE response by using the as_optimade=True URL query parameter in the GET /search endpoint directly. Or one can go via Python; instantiate the finalized QueryResource (via GET /queries/<ID>) and use the response_as_optimade() method.
In order to keep the ids unique in the OPTIMADE-valid response, they are all prepended by <provider-prefix>/<database-id>/.

Changelog

v0.2.0 (2021-09-07)

Full Changelog

Implemented enhancements:

• Minor re-design #82 (CasperWA)

Fixed bugs:

• Fix CD - remnants from #82 #117

Merged pull requests:

• Remove references to docker_config.json #118 (CasperWA)
• Return to major version tags (where available) for GH Actions #114 (CasperWA)
• Update dependencies #112 (CasperWA)
• Update pytest-httpx requirement from ~=0.12.0 to ~=0.12.1 #108 (dependabot[bot])
• Update dependencies #107 (CasperWA)
• Update dependencies & GH Actions #104 (CasperWA)
• Update dependencies and GH Actions #99 (CasperWA)
• Update dependencies #96 (CasperWA)
• Bump codecov/codecov-action from 1.5.0 to 1.5.2 #83 (dependabot[bot])
• Update dependencies + GH Actions #81 (CasperWA)
• Update optimade[server] requirement from ~=0.14.0 to ~=0.15.0 #79 (dependabot[bot])
• Bump mkdocs-material from 7.1.3 to 7.1.4 #67 (dependabot[bot])
• Update auto-changelog-action to v1.4 #65 (CasperWA)

* This Changelog was automatically generated by github_changelog_generator

v0.1.2

Testing CD release

This is another release to test the continuous deployment GitHub workflow.

Changelog

v0.1.2 (2021-05-01)

Full Changelog

Fixed bugs:

• CD is still wrong #63

Merged pull requests:

• Fix tag version retrieval #64 (CasperWA)

* This Changelog was automatically generated by github_changelog_generator

v0.1.1

Testing CD release

This patch update is to test the continuous deployment GitHub workflow.

Changelog

* This Changelog was automatically generated by github_changelog_generator

v0.1.0

First release

This is the first official release of the OPTIMADE Gateway.

Changelog

v0.1.0 (2021-05-01)

Full Changelog

Implemented enhancements:

• Create a /search endpoint #40
• Sorting #20
• Add test and update code for creating queries accordingly #38 (CasperWA)
• Asynchronous queued queries #34 (CasperWA)
• Add extra endpoints #27 (CasperWA)
• Versioned base URLs #12 (CasperWA)
• Dockerfile and docker-compose #11 (CasperWA)
• Establish /gateways/{id}/structures endpoint #10 (CasperWA)
• Tests and GET /gateways #7 (CasperWA)

Fixed bugs:

• Make tests more loose for model assertion #24 (CasperWA)

Closed issues:

• Documentation #53
• Setup mock implementations for testing the gateway #32
• Finalize the APIs - Determine fate of CLI #16
• Further abstract and modularize the code #15
• Update docker CI job #13
• Don't use GH version of optimade package #8

Merged pull requests:

• Change to v0.1.0-rc.1 #60 (CasperWA)
• Don't sort for external DB requests #59 (CasperWA)
• Update dependencies #58 (CasperWA)
• Create documentation site #54 (CasperWA)
• Update dependencies #52 (CasperWA)
• Implement /databases for registering and handling known OPTIMADE databases #49 (CasperWA)
• Change epfl-theos -> Materials-Consortia & update codecov CI step #48 (CasperWA)
• Update pytest-asyncio requirement from ~=0.14.0 to ~=0.15.0 #47 (dependabot[bot])
• Add license, copyright and funding information #46 (CasperWA)
• Update dependencies #45 (CasperWA)
• Set up the /search endpoint #41 (CasperWA)
• Use pytest-httpx to mock external responses #39 (CasperWA)
• Update optimade requirement from ~=0.13.3 to ~=0.14.0 #37 (dependabot[bot])
• Update httpx requirement from ~=0.17.0 to ~=0.17.1 #36 (dependabot[bot])
• Use latest MongoDB v4 (v4.4) #33 (CasperWA)
• Update dependencies #31 (CasperWA)
• Update httpx requirement from ~=0.16.1 to ~=0.17.0 #28 (dependabot[bot])
• Update dependencies #26 (CasperWA)
• Update optimade and docker CI job #14 (CasperWA)
• Various updates #9 (CasperWA)
• Update dependencies #6 (CasperWA)

* This Changelog was automatically generated by github_changelog_generator