Release v0.5.0

[dotsdl]

This release features changes required to support the following:

• openfe and gufe versions >=1.0
• Folding@Home execution via alchemiscale-fah

If upgrading an existing alchemiscale deployment to this release, result objects (ProtocolDAGResults) produced with openfe and/or gufe versions <1.0 existing in the database will not be usable. Many settings options for common Protocols, such as the RelativeHybridTopologyProtocol, have been refined as part of these 1.0 releases, and these will settings remain relatively stable through the 1.0 series. Extract any results of importance from an existing alchemiscale deployment before upgrading to this release!

What's Changed

• Added support for NonTransformations by @ianmkenney in Added support for NonTransformations #270
• More HTTPExceptions in the interface API endpoints by @ianmkenney in More HTTPExceptions in the interface API endpoints #269
• Test new openfe & gufe rc by @mikemhenry in Test new openfe & gufe rc #254
• Fix regular expression matching in query_networks by @ianmkenney in Fix regular expression matching in query_networks #275
• Update operations manual to address changes in Neo4j database management by @ianmkenney in Update operations manual to address changes in Neo4j database management #272
• Fix for create_network in interface API, properly deserializing AlchemicalNetwork by @ianmkenney in Fix for create_network in interface API, properly deserializing AlchemicalNetwork #276
• Test TaskHub Task claiming by Protocol by @ianmkenney in Test TaskHub Task claiming by Protocol #279
• Changes needed to support execution via alchemiscale-fah by @dotsdl in Changes needed to support execution via alchemiscale-fah #218
• Increment compute env to use cudatoolkit 11.8 by @dotsdl in Increment compute env to use cudatoolkit 11.8 #278
• release 0.5.0 prep by @dotsdl in release 0.5.0 prep #283

Full Changelog: v0.4.0...v0.5.0

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This discussion was created from the release Release v0.5.0.