From f73d418c8c1f42a7db31baa4d336b5bde16a6728 Mon Sep 17 00:00:00 2001
From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com>
Date: Mon, 7 Oct 2024 20:16:53 -0400
Subject: [PATCH] Bump pymatgen from 2024.9.17.1 to 2024.10.3 (#2487)
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Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from
2024.9.17.1 to 2024.10.3.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/materialsproject/pymatgen/releases">pymatgen's
releases</a>.</em></p>
<blockquote>
<h2>v2024.10.3</h2>
<ul>
<li>Enable parsing of &quot;SCF energy&quot; and &quot;Total
energy&quot; from QCOutput for Q-chem 6.1.1+. (<a
href="https://github.com/Jaebeom-P"><code>@​Jaebeom-P</code></a>)</li>
<li>Fix dict equality check with numpy array (<a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>)</li>
<li>Fix usage of strict=True for zip in cp2k.outputs (<a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>)</li>
<li>Fix bug with species defaults (<a
href="https://github.com/tpurcell90"><code>@​tpurcell90</code></a>)</li>
<li>SLME Bug Fixes (<a
href="https://github.com/kavanase"><code>@​kavanase</code></a>)</li>
</ul>
</blockquote>
</details>
<details>
<summary>Changelog</summary>
<p><em>Sourced from <a
href="https://github.com/materialsproject/pymatgen/blob/master/docs/CHANGES.md">pymatgen's
changelog</a>.</em></p>
<blockquote>
<h2>v2024.10.3</h2>
<ul>
<li>Enable parsing of &quot;SCF energy&quot; and &quot;Total
energy&quot; from QCOutput for Q-chem 6.1.1+. (<a
href="https://github.com/Jaebeom-P"><code>@​Jaebeom-P</code></a>)</li>
<li>Fix dict equality check with numpy array (<a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>)</li>
<li>Fix usage of strict=True for zip in cp2k.outputs (<a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>)</li>
<li>Fix bug with species defaults (<a
href="https://github.com/tpurcell90"><code>@​tpurcell90</code></a>)</li>
<li>SLME Bug Fixes (<a
href="https://github.com/kavanase"><code>@​kavanase</code></a>)</li>
</ul>
</blockquote>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/557277edec135333437015d623cdfc7cbf00dc00"><code>557277e</code></a>
Update docs</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/6000add4f4f9f078165d88499e3f913c29ba5007"><code>6000add</code></a>
Update changelog. Update version.</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/862fa35a02136b29532b1996572c7d5f1466dd4e"><code>862fa35</code></a>
Install <code>BoltzTraP2</code> directly through <code>uv</code> (<a
href="https://redirect.github.com/materialsproject/pymatgen/issues/4076">#4076</a>)</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/4c76b5845ebf9d7443b1f2966c109c355184da95"><code>4c76b58</code></a>
Fix dict equality check with numpy array (<a
href="https://redirect.github.com/materialsproject/pymatgen/issues/4086">#4086</a>)</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/47b1b427b5f93f566b7e6a2e244434eb33450730"><code>47b1b42</code></a>
Fix usage of <code>strict=True</code> for <code>zip</code> in
<code>cp2k.outputs</code> (<a
href="https://redirect.github.com/materialsproject/pymatgen/issues/4084">#4084</a>)</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/b4bc03ddfbfe8a6deab2f4995d8f5bdba206ac21"><code>b4bc03d</code></a>
Fix bug with species defaults (<a
href="https://redirect.github.com/materialsproject/pymatgen/issues/4083">#4083</a>)</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/d81568b0b8b350c396cf29d698adb9c2fb23b1fc"><code>d81568b</code></a>
qchem.outputs.py change for FFOpt with Q-chem 6.1.1+ (<a
href="https://redirect.github.com/materialsproject/pymatgen/issues/4087">#4087</a>)</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/fa62ff460762f431014177e63a695c013c984391"><code>fa62ff4</code></a>
SLME Bug Fixes (<a
href="https://redirect.github.com/materialsproject/pymatgen/issues/4082">#4082</a>)</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/e9ea813107ea223d5ce693bdf5e4f74fe29f76db"><code>e9ea813</code></a>
Return <code>bool</code> instead of <code>np.bool_</code> (<a
href="https://redirect.github.com/materialsproject/pymatgen/issues/4074">#4074</a>)</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/ea7c3390e2db99a35f3eee242073ffc2830bbd4c"><code>ea7c339</code></a>
Update addons.md (<a
href="https://redirect.github.com/materialsproject/pymatgen/issues/4069">#4069</a>)</li>
<li>Additional commits viewable in <a
href="https://github.com/materialsproject/pymatgen/compare/v2024.9.17.1...v2024.10.3">compare
view</a></li>
</ul>
</details>
<br />


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---
 tests/requirements.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/requirements.txt b/tests/requirements.txt
index dfa25e0ec2..4c1683951d 100644
--- a/tests/requirements.txt
+++ b/tests/requirements.txt
@@ -7,6 +7,6 @@ numpy==1.26.4
 psutil==5.9.8
 pydantic==2.9.2
 pydantic-settings==2.5.2
-pymatgen==2024.9.17.1
+pymatgen==2024.10.3
 ruamel.yaml==0.18.6
 typer==0.12.5