Alchemiscale

This release focused on adding documentation for `alchemiscale`, including a [user guide](https://docs.alchemiscale.org/en/latest/user_guide.html), a [first tutorial](https://docs.alchemiscale.org/en/latest/tutorials/demo/Alchemiscale%20Demo.html), [deployment](https://docs.alchemiscale.org/en/latest/deployment.html), [compute](https://docs.alchemiscale.org/en/latest/compute.html), and [operations](https://docs.alchemiscale.org/en/latest/operations.html) guides, a [developer guide](https://docs.alchemiscale.org/en/latest/development.html), and an [API reference](https://docs.alchemiscale.org/en/latest/api.html). It also added efficient methods for getting network-wide results to the `AlchemiscaleClient` in #178, and some smaller fixes to the `alchemiscale` CLI.

What's Changed
* Fixed version mismatch of alchemiscale in conda environments by ianmkenney in https://github.com/openforcefield/alchemiscale/pull/165
* Add user guide to docs, restructure some other documentation pages by dotsdl in https://github.com/openforcefield/alchemiscale/pull/166
* Added compute doc, adding other operations docs (e.g. backups) by dotsdl in https://github.com/openforcefield/alchemiscale/pull/167
* Support adding and removing multiple scopes from identity with single CLI call by dotsdl in https://github.com/openforcefield/alchemiscale/pull/172
* Add developer-facing docs by dotsdl in https://github.com/openforcefield/alchemiscale/pull/175
* Review and refinement of API docs by dotsdl in https://github.com/openforcefield/alchemiscale/pull/177
* Added `get_network_results` method to `AlchemiscaleClient` by dotsdl in https://github.com/openforcefield/alchemiscale/pull/178
* Add Alchemiscale Demo as first tutorial by dotsdl in https://github.com/openforcefield/alchemiscale/pull/174
* Updated prod-oriented conda envs to use latest openfe, gufe, and python 3.11 by dotsdl in https://github.com/openforcefield/alchemiscale/pull/181

New Contributors
* ianmkenney made their first contribution in https://github.com/openforcefield/alchemiscale/pull/165

**Full Changelog**: https://github.com/openforcefield/alchemiscale/compare/v0.1.4...v0.2.0

This release focused on bugfixes for user-facing issues, in particular opportunities for mismatches between `Transformation` and `ProtocolDAGResult` `gufe` keys in the objectstore and statestore (161). It also added initial documentation structure (157), and guardrails on the allowed `Task` statuses for actioning (162).

What's Changed
* Update prod envs to use openfe 0.11.0 by dotsdl in https://github.com/openforcefield/alchemiscale/pull/158
* Add deplyoment docs v2 by mikemhenry in https://github.com/openforcefield/alchemiscale/pull/157
* Make `ProtocolDAGResult` push and pull keys self-consistent by dotsdl in https://github.com/openforcefield/alchemiscale/pull/161
* Set pydantic version less than 2.0 for all conda envs by dotsdl in https://github.com/openforcefield/alchemiscale/pull/160
* Only action `Task`s that are `status` 'waiting', 'error', or 'running' by dotsdl in https://github.com/openforcefield/alchemiscale/pull/162


**Full Changelog**: https://github.com/openforcefield/alchemiscale/compare/v0.1.3...v0.1.4

This release focused on bugfixes and user-facing features and performance improvements in the `AlchemiscaleClient`. In particular, it added:
- visual feedback for method calls that push or retrieve large data structures
- `asyncio`-based result retrieval
- LRU caching where appropriate to methods that retrieve large data structures, allowing for fast repeated calls for the same objects
- bulk API points for methods that get or set properties of many individual objects, allowing efficient batching and fast execution
- `Task` status methods at the `scope` and `network` levels
- fast accessor methods for related components, such as `get_transformation_tasks`, `get_chemicalsystem_networks`, `get_network_transformations`, etc.

Mismatches in the `gufe` key of an object between the client and the server should also no longer lock users out of their data, using the accessor methods mentioned above.

What's Changed
* Update deployment envs with openfe=0.7.4, gufe=0.7.3 by dotsdl in https://github.com/openforcefield/alchemiscale/pull/135
* Use pyproject.toml by mikemhenry in https://github.com/openforcefield/alchemiscale/pull/141
* Add AlchemiscaleClient API points for simpler status, result retrieval by dotsdl in https://github.com/openforcefield/alchemiscale/pull/143
* AlchemiscalClient async+bulk for results, other methods; add request, response compression for large objects by dotsdl in https://github.com/openforcefield/alchemiscale/pull/150
* `AlchemiscaleClient` LRU caching by dotsdl in https://github.com/openforcefield/alchemiscale/pull/155
* Updated dependencies in conda envs, both testing and deployment by dotsdl in https://github.com/openforcefield/alchemiscale/pull/152


**Full Changelog**: https://github.com/openforcefield/alchemiscale/compare/v0.1.2...v0.1.3

Quality of life improvements on `AlchemiscaleClient`, `SynchronousComputeService` logging.

Bugfix release from deployment issues from release 0.1.0.

This marks the first release of `alchemiscale`. All components are deployable and usable, although there are certainly rough edges, performance bottlenecks, and insufficient documentation. These will be addressed in the releases to follow, informed by user feedback.