Update CHANGELOG.md and prepare release (#225)

* Update CHANGELOG.md * Update CHANGELOG.md * Update pyproject.toml
autoatml · Nov 12, 2024 · b3b491a · b3b491a
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diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -1,8 +1,87 @@
 # Changelog
-## v0.2.9
+## v0.0.2
 ### What's Changed
-* First public release of autoplex
-* Added RSS workflow
+* 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
 
 ## v0.0.1
 * First internal release of autoplex

diff --git a/pyproject.toml b/pyproject.toml
@@ -12,7 +12,7 @@ readme = "README.md"
 keywords = ["high-throughput", "automated", "mlpotential"]
 license = { text = "GPL-3.0 license" }
 authors = [{ name = "Janine George", email = "janine.george@bam.de" }]
-version = "0.0.1"
+version = "0.0.2"
 classifiers = [
     "Programming Language :: Python :: 3",
     "Programming Language :: Python :: 3.10",