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Bump chgnet from 0.3.8 to 0.4.0 (#2468)
Bumps [chgnet](https://github.com/CederGroupHub/chgnet) from 0.3.8 to 0.4.0. <details> <summary>Release notes</summary> <p><em>Sourced from <a href="https://github.com/CederGroupHub/chgnet/releases">chgnet's releases</a>.</em></p> <blockquote> <h2>v0.4.0</h2> <!-- raw HTML omitted --> <h2>What's Changed</h2> <h3>💥 Breaking Changes</h3> <ul> <li>Change default <code>CHGnet.load(check_cuda_mem: bool)</code> to <code>False</code> by <a href="https://github.com/janosh"><code>@janosh</code></a> in <a href="https://redirect.github.com/CederGroupHub/chgnet/pull/164">CederGroupHub/chgnet#164</a></li> </ul> <h3>🐛 Bug Fixes</h3> <ul> <li>Fix <code>KeyError: 'decay_fraction'</code> and <code>TypeError: Object of type int64 is not JSON serializable</code> by <a href="https://github.com/janosh"><code>@janosh</code></a> in <a href="https://redirect.github.com/CederGroupHub/chgnet/pull/169">CederGroupHub/chgnet#169</a></li> <li>Fix missing <code>create_graph.c</code> in source distribution by <a href="https://github.com/DanielYang59"><code>@DanielYang59</code></a> in <a href="https://redirect.github.com/CederGroupHub/chgnet/pull/201">CederGroupHub/chgnet#201</a></li> <li>Remove reverse readline, test again NP1 and recover NumPy 1 dependency support by <a href="https://github.com/DanielYang59"><code>@DanielYang59</code></a> in <a href="https://redirect.github.com/CederGroupHub/chgnet/pull/203">CederGroupHub/chgnet#203</a></li> </ul> <h3>🛠 Enhancements</h3> <ul> <li>Add <code>wandb</code> logging support to <code>Trainer</code> class by <a href="https://github.com/janosh"><code>@janosh</code></a> in <a href="https://redirect.github.com/CederGroupHub/chgnet/pull/166">CederGroupHub/chgnet#166</a></li> <li>Add keyword <code>wandb_log_freq: LogFreq = LogEachBatch</code> to <code>Trainer.train()</code> by <a href="https://github.com/janosh"><code>@janosh</code></a> in <a href="https://redirect.github.com/CederGroupHub/chgnet/pull/170">CederGroupHub/chgnet#170</a></li> </ul> <h3>📖 Documentation</h3> <ul> <li>Dispersion by <a href="https://github.com/ajhoffman1229"><code>@ajhoffman1229</code></a> in <a href="https://redirect.github.com/CederGroupHub/chgnet/pull/192">CederGroupHub/chgnet#192</a></li> </ul> <h3>🧹 Linting</h3> <ul> <li><code>ruff</code> fixes by <a href="https://github.com/DanielYang59"><code>@DanielYang59</code></a> in <a href="https://redirect.github.com/CederGroupHub/chgnet/pull/184">CederGroupHub/chgnet#184</a></li> </ul> <h3>🏷️ Static Typing</h3> <ul> <li>Use return type <code>typing_extensions.Self</code> for class methods by <a href="https://github.com/janosh"><code>@janosh</code></a> in <a href="https://redirect.github.com/CederGroupHub/chgnet/pull/179">CederGroupHub/chgnet#179</a></li> <li>Create py.typed by <a href="https://github.com/Andrew-S-Rosen"><code>@Andrew-S-Rosen</code></a> in <a href="https://redirect.github.com/CederGroupHub/chgnet/pull/189">CederGroupHub/chgnet#189</a></li> </ul> <h3>🏥 Package Health</h3> <ul> <li>Support NumPy 2 by <a href="https://github.com/DanielYang59"><code>@DanielYang59</code></a> in <a href="https://redirect.github.com/CederGroupHub/chgnet/pull/202">CederGroupHub/chgnet#202</a></li> <li>Drop Python 3.9 support by <a href="https://github.com/janosh"><code>@janosh</code></a> in <a href="https://redirect.github.com/CederGroupHub/chgnet/pull/204">CederGroupHub/chgnet#204</a></li> </ul> <h2>New Contributors</h2> <ul> <li><a href="https://github.com/ajhoffman1229"><code>@ajhoffman1229</code></a> made their first contribution in <a href="https://redirect.github.com/CederGroupHub/chgnet/pull/192">CederGroupHub/chgnet#192</a></li> <li><a href="https://github.com/DanielYang59"><code>@DanielYang59</code></a> made their first contribution in <a href="https://redirect.github.com/CederGroupHub/chgnet/pull/201">CederGroupHub/chgnet#201</a></li> </ul> <p><strong>Full Changelog</strong>: <a href="https://github.com/CederGroupHub/chgnet/compare/v0.3.8...v0.4.0">https://github.com/CederGroupHub/chgnet/compare/v0.3.8...v0.4.0</a></p> </blockquote> </details> <details> <summary>Commits</summary> <ul> <li><a href="https://github.com/CederGroupHub/chgnet/commit/4b0c56616034bf5e05aad8b917580a402b66122d"><code>4b0c566</code></a> v0.4.0</li> <li><a href="https://github.com/CederGroupHub/chgnet/commit/bf87bf2e741e867a674f34778a1e4763bcbef99b"><code>bf87bf2</code></a> Drop Python 3.9 support (<a href="https://redirect.github.com/CederGroupHub/chgnet/issues/204">#204</a>)</li> <li><a href="https://github.com/CederGroupHub/chgnet/commit/cde8a76f23a828eca6b9254c782ed7d31d6f0411"><code>cde8a76</code></a> Remove reverse readline, test again NP1 and recover NumPy 1 dependency suppor...</li> <li><a href="https://github.com/CederGroupHub/chgnet/commit/11ff51384fef09bfab999e45b519410eb6fd2c12"><code>11ff513</code></a> fixed typo</li> <li><a href="https://github.com/CederGroupHub/chgnet/commit/6619fc193a030a68c5027f4ba22a98de80c1a366"><code>6619fc1</code></a> cleaned unused parameters in example</li> <li><a href="https://github.com/CederGroupHub/chgnet/commit/035abf226d231249f69dee92cb3c9559e8b74df4"><code>035abf2</code></a> Support NumPy 2 (<a href="https://redirect.github.com/CederGroupHub/chgnet/issues/202">#202</a>)</li> <li><a href="https://github.com/CederGroupHub/chgnet/commit/9281cf49cc844f03346f0a645ac68cf5ecab06ff"><code>9281cf4</code></a> <code>ruff</code> fixes (<a href="https://redirect.github.com/CederGroupHub/chgnet/issues/184">#184</a>)</li> <li><a href="https://github.com/CederGroupHub/chgnet/commit/fbfe69c5b4c1a6407e572d3aab4221efcd5a470f"><code>fbfe69c</code></a> fix sdist (<a href="https://redirect.github.com/CederGroupHub/chgnet/issues/201">#201</a>)</li> <li><a href="https://github.com/CederGroupHub/chgnet/commit/73d6096790bbb1e20d5f2e1e23119cca34e54483"><code>73d6096</code></a> test.yml set fail-fast: false, fix some doc strings missing Returns/Raises, c...</li> <li><a href="https://github.com/CederGroupHub/chgnet/commit/ce1f29c925a4dfd1ca6e12f420b5854152406a11"><code>ce1f29c</code></a> fixed bug in dataset query</li> <li>Additional commits viewable in <a href="https://github.com/CederGroupHub/chgnet/compare/v0.3.8...v0.4.0">compare view</a></li> </ul> </details> <br /> [![Dependabot compatibility score](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=chgnet&package-manager=pip&previous-version=0.3.8&new-version=0.4.0)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores) Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. 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