Alchemiscale

This is a bugfix release in response to a serious bug identified and addressed in 370. We recommend *not* using the v0.6.0 release due to this bug.

What's Changed
* Fix broken codepath in compute API for resolving task restarts for failed ProtocolDAGResults by dotsdl in https://github.com/OpenFreeEnergy/alchemiscale/pull/370


**Full Changelog**: https://github.com/OpenFreeEnergy/alchemiscale/compare/v0.6.0...v0.6.1

This release introduces several major features aimed at improving the overall user experience and result retrieval performance:
- `Task` restart policies, which allow users to automate `Task` restarts for failure modes they encounter from unreliable compute resources
- compression-at-rest of `ProtocolDAGResult` objects by compute services, and use of the compact `KeyedChain` representation for these objects underneath
- user-configurable `ProtocolDAGResult` on-disk caching in the `AlchemiscaleClient`, reducing wait times for pulling results when they have been previously requested

This release also includes the following stack requirements:
- `gufe` > 1.2.0
- `pydantic` > 2

What's Changed
* Restart policy: resolve restarts by ianmkenney in https://github.com/OpenFreeEnergy/alchemiscale/pull/286
* Implement task restart policies by ianmkenney in https://github.com/OpenFreeEnergy/alchemiscale/pull/280
* Use `pydantic` > 1 by dotsdl in https://github.com/OpenFreeEnergy/alchemiscale/pull/192
* Add use of zstd compression on compute services by ianmkenney in https://github.com/OpenFreeEnergy/alchemiscale/pull/336
* Remove Python 3.10 from CI, add SPEC0 badge by dotsdl in https://github.com/OpenFreeEnergy/alchemiscale/pull/359
* Use `diskcache` for caching `ProtocolDAGResult`s in the Alchemiscale client by ianmkenney in https://github.com/OpenFreeEnergy/alchemiscale/pull/271
* Updated `gufe` and `openfe` versions in conda envs, added `cuda-version > 12` to avoid pulling `cudatoolkit` by dotsdl in https://github.com/OpenFreeEnergy/alchemiscale/pull/360
* Added CITATION.cff file with authors involved in `alchemiscale` working group over the last year by dotsdl in https://github.com/OpenFreeEnergy/alchemiscale/pull/362
* Update user guide install instructions by dotsdl in https://github.com/OpenFreeEnergy/alchemiscale/pull/361
* Pin libsqlite to <3.49 by ianmkenney in https://github.com/OpenFreeEnergy/alchemiscale/pull/365
* Fix sporadic test failures by ianmkenney in https://github.com/OpenFreeEnergy/alchemiscale/pull/367
* Prep for release 0.6.0 by dotsdl in https://github.com/OpenFreeEnergy/alchemiscale/pull/363


**Full Changelog**: https://github.com/OpenFreeEnergy/alchemiscale/compare/v0.5.3...v0.6.0

Small patch release, addressing a bug in protocol filtering in `SynchronousComputeService`.

What's Changed
* `SynchronousComputeService` now properly claims tasks with protocols filter by dotsdl in https://github.com/OpenFreeEnergy/alchemiscale/pull/337
* Update deployment envs, user guide to use release 0.5.3. by dotsdl in https://github.com/OpenFreeEnergy/alchemiscale/pull/339


**Full Changelog**: https://github.com/OpenFreeEnergy/alchemiscale/compare/v0.5.2...v0.5.3

New Contributors
* LilDojd made their first contribution in https://github.com/OpenFreeEnergy/alchemiscale/pull/330

**Full Changelog**: https://github.com/OpenFreeEnergy/alchemiscale/compare/v0.5.1...v0.5.2

This patch release includes small fixes identified from the [0.5.0 release](https://github.com/OpenFreeEnergy/alchemiscale/releases/tag/v0.5.0), as well as changes needed due to the migration of `alchemiscale` to the [OpenFreeEnergy](https://github.com/OpenFreeEnergy) GitHub org. We now also include [`openfe` 1.1.0](https://github.com/OpenFreeEnergy/openfe/releases/tag/v1.1.0) in deployment environments.

Please note that new deployable Docker images for [both `server` and `compute`](https://github.com/orgs/OpenFreeEnergy/packages?repo_name=alchemiscale) are now published to GCR under the `openfreeenergy` namespace instead of the `openforcefield` namespace.

What's Changed
* Set default `claim_limit` back to 1 by dotsdl in https://github.com/OpenFreeEnergy/alchemiscale/pull/289
* Switch pip installs to conda packages where possible, add restart policies to docker-compose containers by dotsdl in https://github.com/OpenFreeEnergy/alchemiscale/pull/288
* Added UNWIND to cancel tasks query by ianmkenney in https://github.com/OpenFreeEnergy/alchemiscale/pull/299
* Deploy openfe 1.1.0, update deployment apparatus for OpenFreeEnergy namespace by dotsdl in https://github.com/OpenFreeEnergy/alchemiscale/pull/308
* Update tutorial notebook for openfe 1.0, latest cinnabar by dotsdl in https://github.com/OpenFreeEnergy/alchemiscale/pull/311
* Prepping prod environments for v0.5.1 release by dotsdl in https://github.com/OpenFreeEnergy/alchemiscale/pull/309


**Full Changelog**: https://github.com/OpenFreeEnergy/alchemiscale/compare/v0.5.0...v0.5.1

**Full Changelog**: https://github.com/openforcefield/alchemiscale/compare/v0.4.0...v0.5.0