Release v0.4.0

[dotsdl]

This release focused on performance improvements throughout alchemiscale, both user-facing and compute-facing. In particular:

• performance improvements to Task creation, actioning, and claiming by compute services
• new client methods for getting and setting many network weights at once
• new client methods for getting Tasks statuses and actioned Tasks for many networks at once
• added concept of network state, allowing users to set networks to inactive, deleted, or invalid when no longer relevant
• now using neo4j 5.x, and the official neo4j Python driver for database communication

If upgrading an existing alchemiscale deployment to this release, please follow the migration guide.

What's Changed

• Fix version menu by @mikemhenry in Fix version menu #231
• Fix moto imports in conftest by @ianmkenney in Fix moto imports in conftest #233
• Bulk reformat project with Black by @ianmkenney in Bulk reformat project with Black #234
• fix small typo by @mikemhenry in fix small typo #240
• remove py2neo as primary database driver by @ianmkenney in remove py2neo as primary database driver #235
• Fixes a bug identified by @JenkeScheen in allow setting of task_status to "error" #236 by @dotsdl in Fixes a bug identified by @JenkeScheen in #236 #238
• Support Neo4j 5.x by @ianmkenney in Support Neo4j 5.x #242
• Optimizations for TaskHub task claiming by @ianmkenney in Optimizations for TaskHub task claiming #244
• Simplify action_tasks by @ianmkenney in Simplify action_tasks #249
• Use mamba-org/setup-micromamba by @mattwthompson in Use mamba-org/setup-micromamba #253
• Adding bulk task creation server side by @ianmkenney in Adding bulk task creation server side #250
• Added DeprecationWarning to AlchemiscaleClient.get_scoped_key by @ianmkenney in Added DeprecationWarning to AlchemiscaleClient.get_scoped_key #256
• Add more bulk methods to the Alchemiscale client by @ianmkenney in Add more bulk methods to the Alchemiscale client #255
• Added logo to README, docs by @dotsdl in Added logo to README, docs #262
• Added a test to check that ComputeService deregistration resets claimed Tasks to status waiting by @dotsdl in Added a test to check that ComputeService deregistration resets claimed Tasks to status waiting #260
• User-defined Network state implementation with the NetworkState GufeTokenizable by @ianmkenney in User-defined Network state implementation with the NetworkState GufeTokenizable #257
• Unimplemented tests marked with xfail by @ianmkenney in Unimplemented tests marked with xfail #263
• Release 0.4.0 testing by @dotsdl in Release 0.4.0 testing #264

New Contributors

• @mattwthompson made their first contribution in Use mamba-org/setup-micromamba #253

Full Changelog: v0.3.0...v0.4.0

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This discussion was created from the release Release v0.4.0.