Optimas

What's Changed
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/optimas-org/optimas/pull/148
* Support changing the range and fixing the value of `VaryingParameter`s by AngelFP in https://github.com/optimas-org/optimas/pull/150
* Fix bug with parameter type in Ax generators by AngelFP in https://github.com/optimas-org/optimas/pull/152
* Support arrays and arbitrary objects in history by AngelFP in https://github.com/optimas-org/optimas/pull/149
* Do not require analyzed parameters in `attach_trials` by AngelFP in https://github.com/optimas-org/optimas/pull/153
* Rename `local_threading` to `threads` by AngelFP in https://github.com/optimas-org/optimas/pull/155
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/optimas-org/optimas/pull/157
* Implement `Parameter`s as Pydantic `BaseModel`s and improve exploration diagnostics by AngelFP in https://github.com/optimas-org/optimas/pull/120
* Log to `stdout` by AngelFP in https://github.com/optimas-org/optimas/pull/161
* Make Ax optional by RemiLehe in https://github.com/optimas-org/optimas/pull/156
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/optimas-org/optimas/pull/162
* Update HiPACE++ template script by AngelFP in https://github.com/optimas-org/optimas/pull/142
* Fix typo in Maxwell installation instructions by AngelFP in https://github.com/optimas-org/optimas/pull/159
* Fix bug with fixed parameters by AngelFP in https://github.com/optimas-org/optimas/pull/158
* Use Python 3.11 on Maxwell by AngelFP in https://github.com/optimas-org/optimas/pull/167
* Add new plots and methods to `ExplorationDiagnostics` by AngelFP in https://github.com/optimas-org/optimas/pull/165
* Keep trailing newline in template script by AngelFP in https://github.com/optimas-org/optimas/pull/163
* Adds a new plot to `ExplorationDiagnostics` by delaossa in https://github.com/optimas-org/optimas/pull/168
* Allow plots in `ExplorationDiagnostics` to be drawn in a grid by delaossa in https://github.com/optimas-org/optimas/pull/172
* Show evaluation indices of "top" simulations by delaossa in https://github.com/optimas-org/optimas/pull/173
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/optimas-org/optimas/pull/174
* Add methods to print information about the evaluations by delaossa in https://github.com/optimas-org/optimas/pull/175
* Fix bug in pandas dtype when converting from numpy by AngelFP in https://github.com/optimas-org/optimas/pull/171
* Expose `stdout` and `stderr` filenames to user by AngelFP in https://github.com/optimas-org/optimas/pull/176
* Add support for constraints in Ax generators using the Service API by AngelFP in https://github.com/optimas-org/optimas/pull/170
* Add evaluation timeout and improve handling of evaluations that failed to launch by AngelFP in https://github.com/optimas-org/optimas/pull/164
* Improve handling of failed evaluations by AngelFP in https://github.com/optimas-org/optimas/pull/154
* Add conda-forge badge and update docs by AngelFP in https://github.com/optimas-org/optimas/pull/177
* Require `libEnsemble >= 1.2` by AngelFP in https://github.com/optimas-org/optimas/pull/179


**Full Changelog**: https://github.com/optimas-org/optimas/compare/v0.3.1...v0.4.0

What's Changed
* Fix issues with new Ax release by AngelFP in https://github.com/optimas-org/optimas/pull/147
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/optimas-org/optimas/pull/146


**Full Changelog**: https://github.com/optimas-org/optimas/compare/v0.3.0...v0.3.1

What's Changed
* Update readme and documentation by AngelFP in https://github.com/optimas-org/optimas/pull/111
* Run tests daily and with all supported python versions by AngelFP in https://github.com/optimas-org/optimas/pull/113
* Automated typo detection by jmlarson1 in https://github.com/optimas-org/optimas/pull/116
* Typo in documentation by VadimBim in https://github.com/optimas-org/optimas/pull/115
* Allow resuming an exploration and running in substeps by AngelFP in https://github.com/optimas-org/optimas/pull/118
* Allow launching simulations in a different environment by AngelFP in https://github.com/optimas-org/optimas/pull/108
* Implement `ChainEvaluator` by AngelFP in https://github.com/optimas-org/optimas/pull/110
* Install pre-commit by ax3l in https://github.com/optimas-org/optimas/pull/119
* Increase version number to `0.3.0` for next release by AngelFP in https://github.com/optimas-org/optimas/pull/121
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/optimas-org/optimas/pull/122
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/optimas-org/optimas/pull/129
* Fix typo in `MultitaskEvaluator` docstring by AngelFP in https://github.com/optimas-org/optimas/pull/123
* Update installation instructions for Maxwell by AngelFP in https://github.com/optimas-org/optimas/pull/127
* Avoid pydata theme warning by AngelFP in https://github.com/optimas-org/optimas/pull/130
* Change `Exploration` defaults by AngelFP in https://github.com/optimas-org/optimas/pull/125
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/optimas-org/optimas/pull/131
* Disable Ax logs by AngelFP in https://github.com/optimas-org/optimas/pull/126
* Improve multi-objective optimization and add support for fully Bayesian optimization by AngelFP in https://github.com/optimas-org/optimas/pull/124
* Enable manually adding trials and evaluations to `Exploration` by AngelFP in https://github.com/optimas-org/optimas/pull/128
* Fix tests by AngelFP in https://github.com/optimas-org/optimas/pull/136
* Doc: Button to Copy Code Blocks by ax3l in https://github.com/optimas-org/optimas/pull/138
* CI: Blacken-Docs Version w/ Black by ax3l in https://github.com/optimas-org/optimas/pull/139
* Document new features and improve README by AngelFP in https://github.com/optimas-org/optimas/pull/141
* Use new libE save history options by AngelFP in https://github.com/optimas-org/optimas/pull/135
* Reduce number of initialization evaluations if external data is supplied by AngelFP in https://github.com/optimas-org/optimas/pull/137
* Enable local threading communications by AngelFP in https://github.com/optimas-org/optimas/pull/140

New Contributors
* jmlarson1 made their first contribution in https://github.com/optimas-org/optimas/pull/116
* VadimBim made their first contribution in https://github.com/optimas-org/optimas/pull/115
* pre-commit-ci made their first contribution in https://github.com/optimas-org/optimas/pull/122

**Full Changelog**: https://github.com/optimas-org/optimas/compare/v0.2.1...v0.3.0

Minor release with fixes to support the latest Ax version (0.3.4)

What's Changed
* Remove outdated files by AngelFP in https://github.com/optimas-org/optimas/pull/109
* Fix issue with latest Ax release by AngelFP in https://github.com/optimas-org/optimas/pull/112
* Increase version number by AngelFP in https://github.com/optimas-org/optimas/pull/114


**Full Changelog**: https://github.com/optimas-org/optimas/compare/v0.2.0...v0.2.1

This release updates `optimas` to use the latest `libEnsemble` version, introduces a new `Generator`, and greatly expands the documentation.

The main changes can be summarized as follow:
* Update to `libEnsemble` `0.10.2`. This implies:
* Many changes under the hood that should improve resource detection and assignment in HPC environments.
* The output of an `optimas` exploration, including the log files, is now fully contained in a single folder (see the [documentation](https://optimas.readthedocs.io/en/latest/user_guide/basic_usage/analyze_output.html#understanding-the-output-of-optimas) for details).
* The `n_procs` argument of the `TemplateEvaluator` is now functional. Therefore, you can now specify the number of MPI processes that your simulation needs (previously, the number of processes was always equal to the number of GPUs given in `n_gpus`).
* The default number of GPUs assigned to a `TemplateEvaluator` is now 0 (i.e., `n_gpus=0`).
* An exploration will now fail to start if the workers require more resources than available in the system (e.g., require more workers than CPU cores, or more GPUs than available).
* A new `AxClientGenerator` has been implemented. This generator allows the user to provide fully-customized `AxClient`, thus allowing for a higher control of the optimization. Basically, you can now use `optimas` as a platform to launch an `Ax` optimization in parallel.
* The [documentation](https://optimas.readthedocs.io) has been greatly expanded and now includes a user guide covering the basic usage of `optimas` as well as many detailed examples.

For all details, see the pull requests below.

What's Changed
* Implement generator with user-defined `AxClient` by AngelFP in https://github.com/optimas-org/optimas/pull/100
* Update generator after running exploration by AngelFP in https://github.com/optimas-org/optimas/pull/101
* Updating for new libE interface by shuds13 in https://github.com/optimas-org/optimas/pull/88
* Improve documentation and examples by AngelFP in https://github.com/optimas-org/optimas/pull/104
* Documentation: add submission script on Perlmutter by RemiLehe in https://github.com/optimas-org/optimas/pull/106
* Add installation instructions for JUWELS Booster by AngelFP in https://github.com/optimas-org/optimas/pull/102

New Contributors
* shuds13 made their first contribution in https://github.com/optimas-org/optimas/pull/88

**Full Changelog**: https://github.com/optimas-org/optimas/compare/v0.1.1...v0.2.0

This release changes the default behavior of `dedicated_resources` in the generators, which is now set to `False`. This prevents issues where a GPU would be reserved for the generator, even if the generator is not able to use it. It also updates the documentation to install `optimas` from PyPI.

What's Changed
* Change instructions to install from PyPI and add post-release badges by AngelFP in https://github.com/optimas-org/optimas/pull/99
* dedicated_resources for Generators: False by default by RemiLehe in https://github.com/optimas-org/optimas/pull/103
* Increase version number to `0.1.1` by AngelFP in https://github.com/optimas-org/optimas/pull/105


**Full Changelog**: https://github.com/optimas-org/optimas/compare/v0.1.0...v0.1.1