Autoplex

* does not exist due to a release error

Bug fix for a missing file export in v0.0.4 (RSS functionality)

Essentially, it is the same version as v0.0.2. The release has, however, been updated to work with stable atomate2 and mace-torch versions.

What's Changed
* fix m3gnet issue by naik-aakash in https://github.com/autoatml/autoplex/pull/76
* Docstrings, type-hints, documentation fixes by QuantumChemist in https://github.com/autoatml/autoplex/pull/78
* Test buildcell by JaGeo in https://github.com/autoatml/autoplex/pull/82
* installation of buildcell by JaGeo in https://github.com/autoatml/autoplex/pull/81
* Merging RSS code by YuanbinLiu in https://github.com/autoatml/autoplex/pull/69
* Update README.md by JaGeo in https://github.com/autoatml/autoplex/pull/85
* [WIP] Integration and test of RSS code by YuanbinLiu in https://github.com/autoatml/autoplex/pull/84
* RSS fixes by QuantumChemist in https://github.com/autoatml/autoplex/pull/89
* Hookean tests by MorrowChem in https://github.com/autoatml/autoplex/pull/92
* Run full pre-commit hook in CI by QuantumChemist in https://github.com/autoatml/autoplex/pull/95
* Implementation of adaptive supercell settings and improvement of the documentation by QuantumChemist in https://github.com/autoatml/autoplex/pull/80
* Supercell Tests by JaGeo in https://github.com/autoatml/autoplex/pull/98
* Miscellaneous changes by QuantumChemist in https://github.com/autoatml/autoplex/pull/102
* Merging by QuantumChemist in https://github.com/autoatml/autoplex/pull/103
* Add devcontainer by naik-aakash in https://github.com/autoatml/autoplex/pull/96
* string python versions and fix repo name by naik-aakash in https://github.com/autoatml/autoplex/pull/106
* remove accidental - from docker workflow by naik-aakash in https://github.com/autoatml/autoplex/pull/107
* Update devcontainer image and docker-publish workflow by naik-aakash in https://github.com/autoatml/autoplex/pull/109
* Update Dockerfile to use micromamba and make it uv ready by naik-aakash in https://github.com/autoatml/autoplex/pull/110
* fix linting for Dockerfile by naik-aakash in https://github.com/autoatml/autoplex/pull/111
* Optimize test wf by naik-aakash in https://github.com/autoatml/autoplex/pull/112
* Fix quippy error in CI by naik-aakash in https://github.com/autoatml/autoplex/pull/115
* fix final coverage report not being generated by naik-aakash in https://github.com/autoatml/autoplex/pull/117
* Update copyright notice for reused code by MorrowChem in https://github.com/autoatml/autoplex/pull/120
* Update LICENSE by JaGeo in https://github.com/autoatml/autoplex/pull/121
* Update docker-publish.yml by naik-aakash in https://github.com/autoatml/autoplex/pull/126
* pin atomate2 to last working commit by naik-aakash in https://github.com/autoatml/autoplex/pull/127
* Update devcontainer & fix linting by naik-aakash in https://github.com/autoatml/autoplex/pull/129
* Prettify tests by naik-aakash in https://github.com/autoatml/autoplex/pull/130
* Revert prettify tests by naik-aakash in https://github.com/autoatml/autoplex/pull/132
* Fix force field dependencies by naik-aakash in https://github.com/autoatml/autoplex/pull/134
* Fix liniting error & Update test durations by naik-aakash in https://github.com/autoatml/autoplex/pull/135
* Merge main into sc algo by QuantumChemist in https://github.com/autoatml/autoplex/pull/138
* Bump sphinx from 7.2.6 to 8.0.2 by dependabot in https://github.com/autoatml/autoplex/pull/123
* merge main into sc algo by QuantumChemist in https://github.com/autoatml/autoplex/pull/139
* Revert "Bump sphinx from 7.2.6 to 8.0.2" by naik-aakash in https://github.com/autoatml/autoplex/pull/143
* merging main to adapt_sc_algo for docs fixes by QuantumChemist in https://github.com/autoatml/autoplex/pull/154
* Copyright notice by YuanbinLiu in https://github.com/autoatml/autoplex/pull/155
* Fix doc by naik-aakash in https://github.com/autoatml/autoplex/pull/157
* Fix doc by naik-aakash in https://github.com/autoatml/autoplex/pull/159
* Include autoplex docker by naik-aakash in https://github.com/autoatml/autoplex/pull/161
* Enable more refined supercell settings and adapt DFT settings in phonon workflow by JaGeo in https://github.com/autoatml/autoplex/pull/100
* Docs fixes by QuantumChemist in https://github.com/autoatml/autoplex/pull/162
* Add docs deployment to ci by naik-aakash in https://github.com/autoatml/autoplex/pull/73
* added the current authors of the documentation to the conf file by QuantumChemist in https://github.com/autoatml/autoplex/pull/164
* Update Dockerfile by naik-aakash in https://github.com/autoatml/autoplex/pull/166
* Fix tests by naik-aakash in https://github.com/autoatml/autoplex/pull/163
* Update install instructions and MISC cleanup by naik-aakash in https://github.com/autoatml/autoplex/pull/168
* Adjust glue xml file path handling by QuantumChemist in https://github.com/autoatml/autoplex/pull/169
* Small changes in README and pyproject files by QuantumChemist in https://github.com/autoatml/autoplex/pull/170
* Update index.md by naik-aakash in https://github.com/autoatml/autoplex/pull/172
* Update split durations by QuantumChemist in https://github.com/autoatml/autoplex/pull/171
* Small cleanup in docs conf file and added a favicon for the documentation pages by QuantumChemist in https://github.com/autoatml/autoplex/pull/174
* update colors to fix dark mode by naik-aakash in https://github.com/autoatml/autoplex/pull/177
* add PyPi publish workflow by naik-aakash in https://github.com/autoatml/autoplex/pull/152
* Manual supercells by QuantumChemist in https://github.com/autoatml/autoplex/pull/176
* remove hardcoded json file name by naik-aakash in https://github.com/autoatml/autoplex/pull/185
* clear cache in docker image & test workflow by naik-aakash in https://github.com/autoatml/autoplex/pull/189
* Added "datatype" to results summary file by QuantumChemist in https://github.com/autoatml/autoplex/pull/192
* adjusting VASP/jobs settings by QuantumChemist in https://github.com/autoatml/autoplex/pull/200
* Update README.md by JaGeo in https://github.com/autoatml/autoplex/pull/201
* add tags to docker images and cleanup workflow by naik-aakash in https://github.com/autoatml/autoplex/pull/206
* Fix dockerbuild workflow by naik-aakash in https://github.com/autoatml/autoplex/pull/207
* Cleanup ghcr by naik-aakash in https://github.com/autoatml/autoplex/pull/208
* update image urls by naik-aakash in https://github.com/autoatml/autoplex/pull/209
* Add workflow to autoupdate devcontainer.json version tags on new release by naik-aakash in https://github.com/autoatml/autoplex/pull/212
* Make the MACE fit more flexible and build a finetuning workflow by JaGeo in https://github.com/autoatml/autoplex/pull/182
* Update docker image - Include LAMMPS by naik-aakash in https://github.com/autoatml/autoplex/pull/210
* Auto update test durations by naik-aakash in https://github.com/autoatml/autoplex/pull/215
* Revise lammps compilation by naik-aakash in https://github.com/autoatml/autoplex/pull/217
* Update README.md with new RSS functionalities and clean up by JaGeo in https://github.com/autoatml/autoplex/pull/202
* fix linting by JaGeo in https://github.com/autoatml/autoplex/pull/218
* Make version number consistent by JaGeo in https://github.com/autoatml/autoplex/pull/220
* raise pr via update_devcontainer.yml by naik-aakash in https://github.com/autoatml/autoplex/pull/221
* Created a new unified flow module for RSS. by YuanbinLiu in https://github.com/autoatml/autoplex/pull/203
* move to src layout by naik-aakash in https://github.com/autoatml/autoplex/pull/224

New Contributors
* dependabot made their first contribution in https://github.com/autoatml/autoplex/pull/123

**Full Changelog**: https://github.com/autoatml/autoplex/compare/v0.0.1...v0.0.2

* First internal release of autoplex
* Added initial workflows for phonon accurate automated gap fits
* Added interface for MACE, M3GNET, J-ACE, NEQUIP potential fits
* Added option to include rattled structures in MLIP fits