Commit f588daf
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Bump atomate2 from 0.0.21 to 0.0.23 (#3045)
Bumps [atomate2](https://github.com/materialsproject/atomate2) from
0.0.21 to 0.0.23.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/materialsproject/atomate2/releases">atomate2's
releases</a>.</em></p>
<blockquote>
<h2>v0.0.23</h2>
<h2>What's Changed</h2>
<h3>Other Changes</h3>
<ul>
<li>fix(docs): revise python version example by <a
href="https://github.com/ramonmi"><code>@ramonmi</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1313">materialsproject/atomate2#1313</a></li>
<li>Readd aims magnetism test by <a
href="https://github.com/tpurcell90"><code>@tpurcell90</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1137">materialsproject/atomate2#1137</a></li>
<li>Bump openmm from 8.2.0 to 8.3.1 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1315">materialsproject/atomate2#1315</a></li>
<li>Bump pymatgen from 2025.6.14 to 2025.10.7 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1317">materialsproject/atomate2#1317</a></li>
<li>Fix abipy test runner inconsistency by <a
href="https://github.com/esoteric-ephemera"><code>@esoteric-ephemera</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1319">materialsproject/atomate2#1319</a></li>
<li>Bump jupyterlab from 4.4.7 to 4.4.9 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1318">materialsproject/atomate2#1318</a></li>
<li>Update phonopy requirement from <2.43.3,>=1.10.8 to
>=1.10.8,<2.43.6 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1320">materialsproject/atomate2#1320</a></li>
<li>Auto-update pre-commit hooks by <a
href="https://github.com/github-actions"><code>@github-actions</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1114">materialsproject/atomate2#1114</a></li>
<li>Bump openmm from 8.3.1 to 8.4.0 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1324">materialsproject/atomate2#1324</a></li>
<li>emmet 0.86.1 compatibility by <a
href="https://github.com/esoteric-ephemera"><code>@esoteric-ephemera</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1325">materialsproject/atomate2#1325</a></li>
<li>Bump matgl from 1.3.0 to 2.0.4 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1337">materialsproject/atomate2#1337</a></li>
<li>Bump openmm from 8.4.0 to 8.4.0.post2 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1338">materialsproject/atomate2#1338</a></li>
<li>Bump jupyterlab from 4.4.10 to 4.5.0 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1336">materialsproject/atomate2#1336</a></li>
<li>Feat: Add DeepMD MLFF support by <a
href="https://github.com/MoseyQAQ"><code>@MoseyQAQ</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/999">materialsproject/atomate2#999</a></li>
<li>Molecule for forcefield by <a
href="https://github.com/yaoyi92"><code>@yaoyi92</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1127">materialsproject/atomate2#1127</a></li>
</ul>
<h2>New Contributors</h2>
<ul>
<li><a href="https://github.com/ramonmi"><code>@ramonmi</code></a> made
their first contribution in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1313">materialsproject/atomate2#1313</a></li>
<li><a href="https://github.com/MoseyQAQ"><code>@MoseyQAQ</code></a>
made their first contribution in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/999">materialsproject/atomate2#999</a></li>
<li><a href="https://github.com/yaoyi92"><code>@yaoyi92</code></a> made
their first contribution in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1127">materialsproject/atomate2#1127</a></li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/materialsproject/atomate2/compare/v0.0.22...v0.0.23">https://github.com/materialsproject/atomate2/compare/v0.0.22...v0.0.23</a></p>
<h2>v0.0.22</h2>
<h2>What's Changed</h2>
<h3>Bug Fixes 🐛</h3>
<ul>
<li>ASE MD NPT bug fixes + housekeeping by <a
href="https://github.com/esoteric-ephemera"><code>@esoteric-ephemera</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1255">materialsproject/atomate2#1255</a></li>
</ul>
<h3>Other Changes</h3>
<ul>
<li>updated zenodo DOI by <a
href="https://github.com/hrushikesh-s"><code>@hrushikesh-s</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1211">materialsproject/atomate2#1211</a></li>
<li>Fix zenodo link on readme by <a
href="https://github.com/JaGeo"><code>@JaGeo</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1215">materialsproject/atomate2#1215</a></li>
<li>ML forcefields bug fixes by <a
href="https://github.com/esoteric-ephemera"><code>@esoteric-ephemera</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1220">materialsproject/atomate2#1220</a></li>
<li>Bump mp-api from 0.45.4 to 0.45.7 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1223">materialsproject/atomate2#1223</a></li>
<li>Bump ijson from 3.3.0 to 3.4.0 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1225">materialsproject/atomate2#1225</a></li>
<li>Bump typing-extensions from 4.13.2 to 4.14.0 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1227">materialsproject/atomate2#1227</a></li>
<li>Bump pytest-cov from 6.1.1 to 6.2.1 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1228">materialsproject/atomate2#1228</a></li>
<li>Bump ipython from 8.34.0 to 8.37.0 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1229">materialsproject/atomate2#1229</a></li>
<li>Update setuptools requirement from <80,>=42 to >=42,<81
by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1230">materialsproject/atomate2#1230</a></li>
<li>Bump calorine from 3.0 to 3.1 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1231">materialsproject/atomate2#1231</a></li>
<li>Bump pytest from 8.3.5 to 8.4.1 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1232">materialsproject/atomate2#1232</a></li>
<li>Bump pymatgen from 2024.11.13 to 2025.6.14 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1233">materialsproject/atomate2#1233</a></li>
<li>Bump click from 8.2.0 to 8.2.1 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1234">materialsproject/atomate2#1234</a></li>
<li>Bump mace-torch from 0.3.12 to 0.3.13 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1235">materialsproject/atomate2#1235</a></li>
<li>Bump pydantic from 2.11.3 to 2.11.7 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1236">materialsproject/atomate2#1236</a></li>
<li>Bump jobflow from 0.1.19 to 0.2.0 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1237">materialsproject/atomate2#1237</a></li>
<li>Bump pytest-mock from 3.14.0 to 3.14.1 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1238">materialsproject/atomate2#1238</a></li>
<li>Bump jupyterlab from 4.4.2 to 4.4.4 by <a
href="https://github.com/dependabot"><code>@dependabot</code></a>[bot]
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/1239">materialsproject/atomate2#1239</a></li>
</ul>
<!-- raw HTML omitted -->
</blockquote>
<p>... (truncated)</p>
</details>
<details>
<summary>Changelog</summary>
<p><em>Sourced from <a
href="https://github.com/materialsproject/atomate2/blob/main/CHANGELOG.md">atomate2's
changelog</a>.</em></p>
<blockquote>
<h1>Change log</h1>
</blockquote>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/materialsproject/atomate2/commit/ccdf013f8c398bcf753a4fe05a6df6c0ca5a01a7"><code>ccdf013</code></a>
Merge pull request <a
href="https://redirect.github.com/materialsproject/atomate2/issues/1127">#1127</a>
from yaoyi92/mol_for_forcefield</li>
<li><a
href="https://github.com/materialsproject/atomate2/commit/2a47376ad7c054b0489160d0a4a23e1ccfc9ccad"><code>2a47376</code></a>
reset some default</li>
<li><a
href="https://github.com/materialsproject/atomate2/commit/b2f9821dd15e596b3f8a7736c39dc78524e148c7"><code>b2f9821</code></a>
simplify classes</li>
<li><a
href="https://github.com/materialsproject/atomate2/commit/214c8b2fdcdb40fd76072ac32c91b2a6ba8c8aec"><code>214c8b2</code></a>
precommit</li>
<li><a
href="https://github.com/materialsproject/atomate2/commit/2bd32863677ce02edf0371f7c9113a80f66909d7"><code>2bd3286</code></a>
resolve merge conflicts + rename schemas to avoid breaking changes</li>
<li><a
href="https://github.com/materialsproject/atomate2/commit/c40a39490b52fe8bb386845b9d2d93181cc49296"><code>c40a394</code></a>
Feat: Add DeepMD MLFF support (<a
href="https://redirect.github.com/materialsproject/atomate2/issues/999">#999</a>)</li>
<li><a
href="https://github.com/materialsproject/atomate2/commit/0030d68581850dddfe0f14a7498f0272ebd9ecce"><code>0030d68</code></a>
Bump jupyterlab from 4.4.10 to 4.5.0 (<a
href="https://redirect.github.com/materialsproject/atomate2/issues/1336">#1336</a>)</li>
<li><a
href="https://github.com/materialsproject/atomate2/commit/676df2adef068ac6cf12a6376dbdcacab8671090"><code>676df2a</code></a>
Bump openmm from 8.4.0 to 8.4.0.post2 (<a
href="https://redirect.github.com/materialsproject/atomate2/issues/1338">#1338</a>)</li>
<li><a
href="https://github.com/materialsproject/atomate2/commit/eb3053f8c6a8ffb6f72c4e8d8e2450f1c1dc5cca"><code>eb3053f</code></a>
Bump matgl from 1.3.0 to 2.0.4 (<a
href="https://redirect.github.com/materialsproject/atomate2/issues/1337">#1337</a>)</li>
<li><a
href="https://github.com/materialsproject/atomate2/commit/a9010b4778212a28af1d1807188794fb287bc038"><code>a9010b4</code></a>
emmet 0.86.1 compatibility (<a
href="https://redirect.github.com/materialsproject/atomate2/issues/1325">#1325</a>)</li>
<li>Additional commits viewable in <a
href="https://github.com/materialsproject/atomate2/compare/v0.0.21...v0.0.23">compare
view</a></li>
</ul>
</details>
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Co-authored-by: Andrew S. Rosen <asrosen93@gmail.com>1 parent a26fcce commit f588daf
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