Commit ccb5572
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Bump fairchem-core from 2.15.0 to 2.17.0 (#3169)
Bumps [fairchem-core](https://github.com/facebookresearch/fairchem) from
2.15.0 to 2.17.0.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/facebookresearch/fairchem/releases">fairchem-core's
releases</a>.</em></p>
<blockquote>
<h2>fairchem-core-2.17.0</h2>
<h2>What’s Changed</h2>
<p>This release adds ability to predict stress outputs for UMA 1.2 and
reduces recompilation issues for the new UMASFastGPU backend due to bugs
in torch compile.</p>
<ul>
<li>Refactor MLP Energy/EFS Heads with Shared Helper Functions (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1734">#1734</a>)
<a href="https://github.com/lbluque"><code>@lbluque</code></a></li>
</ul>
<h2>New Features / Enhancements</h2>
<ul>
<li>Enable Untrained Property Predictions Including Hessians (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1811">#1811</a>)
<a href="https://github.com/lbluque"><code>@lbluque</code></a></li>
<li>Add Hessian matrix calculation support (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1735">#1735</a>)
<a href="https://github.com/lbluque"><code>@lbluque</code></a></li>
<li>multi-node profiling script (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1845">#1845</a>)
<a href="https://github.com/rayg1234"><code>@rayg1234</code></a></li>
</ul>
<h2>fairchem-core-2.16.0</h2>
<h2>What’s Changed</h2>
<ul>
<li>UMA-S 1.2 Release!</li>
</ul>
<h2>New Features / Enhancements</h2>
<ul>
<li>UMA-S 1.2 (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1861">#1861</a>)
<a href="https://github.com/misko"><code>@misko</code></a></li>
<li>Refactor single atoms (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1732">#1732</a>)
<a href="https://github.com/levineds"><code>@levineds</code></a></li>
<li>add model id (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1859">#1859</a>)
<a href="https://github.com/misko"><code>@misko</code></a></li>
<li>feat: add MOLE model support to DatasetSpecificMoEWrapper (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1848">#1848</a>)
<a href="https://github.com/misko"><code>@misko</code></a></li>
<li>Add UnifiedRadialMLP for batched radial computation (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1831">#1831</a>)
<a href="https://github.com/misko"><code>@misko</code></a></li>
<li>Umas fast gpu backend (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1826">#1826</a>)
<a href="https://github.com/misko"><code>@misko</code></a></li>
<li>enbable GP for nvidia graphgen (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1791">#1791</a>)
<a href="https://github.com/rayg1234"><code>@rayg1234</code></a></li>
<li>[adsorbml] custom adsorbate support (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1822">#1822</a>)
<a href="https://github.com/mshuaibii"><code>@mshuaibii</code></a></li>
</ul>
<h2>Bug Fixes</h2>
<ul>
<li>Disable chan balance compile (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1863">#1863</a>)
<a href="https://github.com/rayg1234"><code>@rayg1234</code></a></li>
<li>Revert 2 commits (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1860">#1860</a>)
<a href="https://github.com/rayg1234"><code>@rayg1234</code></a></li>
<li>Update inference settings (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1857">#1857</a>)
<a href="https://github.com/wood-b"><code>@wood-b</code></a></li>
<li>Fix data loading imports in benchmarks (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1850">#1850</a>)
<a href="https://github.com/lbluque"><code>@lbluque</code></a></li>
<li>Add workers arg to from_model_checkpoint (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1844">#1844</a>)
<a href="https://github.com/rayg1234"><code>@rayg1234</code></a></li>
<li>Quaternion-based Wigner D method for fixing y-aligned edges (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1771">#1771</a>)
<a href="https://github.com/levineds"><code>@levineds</code></a></li>
<li>Fix omc-is2re-polymorph reducer (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1837">#1837</a>)
<a href="https://github.com/lbluque"><code>@lbluque</code></a></li>
<li>Revert graphgen v2 pre partitioning (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1838">#1838</a>)
<a href="https://github.com/rayg1234"><code>@rayg1234</code></a></li>
<li>add preemption state for runners that don't create it (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1834">#1834</a>)
<a href="https://github.com/mshuaibii"><code>@mshuaibii</code></a></li>
<li>Fix per atom MAE bug (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1825">#1825</a>)
<a href="https://github.com/EricZQu"><code>@EricZQu</code></a></li>
</ul>
<h2>Tests</h2>
<ul>
<li>use uma-1p1 instead of uma-1 in tests (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1856">#1856</a>)
<a href="https://github.com/lbluque"><code>@lbluque</code></a></li>
</ul>
</blockquote>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/facebookresearch/fairchem/commit/be54a563f185f4b58534aed1e8d864f3d044a64d"><code>be54a56</code></a>
Auto add edge_chunk_size (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1876">#1876</a>)</li>
<li><a
href="https://github.com/facebookresearch/fairchem/commit/d02982075b0f8648f54841ccae765f2b5882db5e"><code>d029820</code></a>
Enable Untrained Property Predictions Including Hessians ...</li>
<li><a
href="https://github.com/facebookresearch/fairchem/commit/8f431ae64dc02f4f21063d561de8948b1bc2a543"><code>8f431ae</code></a>
Add Hessian matrix calculation support (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1735">#1735</a>)</li>
<li><a
href="https://github.com/facebookresearch/fairchem/commit/0d7cb7ee6456a89ed32afd6e950d91b3222a120a"><code>0d7cb7e</code></a>
pip: bump numba from 0.63.1 to 0.64.0 (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1800">#1800</a>)</li>
<li><a
href="https://github.com/facebookresearch/fairchem/commit/4e7f52282427378a38e698b3b21d81cec7e19448"><code>4e7f522</code></a>
Refactor MLP Energy/EFS Heads with Shared Helper Functions (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1734">#1734</a>)</li>
<li><a
href="https://github.com/facebookresearch/fairchem/commit/e646dafae5e012a834783afef6b2346a6fd5edce"><code>e646daf</code></a>
Add changelogs in docs for uma (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1866">#1866</a>)</li>
<li><a
href="https://github.com/facebookresearch/fairchem/commit/217641849a33c65141697e61c439289fe0f5608d"><code>2176418</code></a>
gh-actions: bump actions/upload-artifact from 6 to 7 (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1853">#1853</a>)</li>
<li><a
href="https://github.com/facebookresearch/fairchem/commit/daac23ba749edf1d3afec4d91355241d375e05d4"><code>daac23b</code></a>
gh-actions: bump actions/download-artifact from 7 to 8 (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1852">#1852</a>)</li>
<li><a
href="https://github.com/facebookresearch/fairchem/commit/519084ca886d8bcf63758776df7e40eb7122ae4c"><code>519084c</code></a>
pip: bump huggingface-hub from 1.4.1 to 1.5.0 (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1854">#1854</a>)</li>
<li><a
href="https://github.com/facebookresearch/fairchem/commit/6dbafd0b3e38b2c192a3f3f311d3edf9389dc6bd"><code>6dbafd0</code></a>
multi-node profiling script (<a
href="https://redirect.github.com/facebookresearch/fairchem/issues/1845">#1845</a>)</li>
<li>Additional commits viewable in <a
href="https://github.com/facebookresearch/fairchem/compare/fairchem_core-2.15.0...fairchem_core-2.17.0">compare
view</a></li>
</ul>
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