Bump chgnet from 0.3.8 to 0.4.0 #990
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Bumps [chgnet](https://github.com/CederGroupHub/chgnet) from 0.3.8 to 0.4.0. - [Release notes](https://github.com/CederGroupHub/chgnet/releases) - [Commits](CederGroupHub/chgnet@v0.3.8...v0.4.0) --- updated-dependencies: - dependency-name: chgnet dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <[email protected]>
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FileNotFoundError: Cannot find DGL C++ graphbolt
# libgraphbolt_pytorch_2.4.1.so
…shape((3, 3)) -> np.ones((3, 3)) - 2 * np.eye(3)
JaGeo
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Oct 3, 2024
| @@ -1,4 +1,4 @@ | |||
| """Drones for parsing VASP calculations and realtd outputs.""" | |||
| """Drones for parsing VASP calculations and related outputs.""" | |||
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| """Drones for parsing VASP calculations and related outputs.""" | |
| """Drones for parsing QChem calculations and related outputs.""" |
M3GNet requires DGL which is PyTorch 2.4 incompatible raises "FileNotFoundError: Cannot find DGL C++ libgraphbolt_pytorch_2.4.1.so"
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* Bump chgnet from 0.3.8 to 0.4.0 Bumps [chgnet](https://github.com/CederGroupHub/chgnet) from 0.3.8 to 0.4.0. - [Release notes](https://github.com/CederGroupHub/chgnet/releases) - [Commits](CederGroupHub/chgnet@v0.3.8...v0.4.0) --- updated-dependencies: - dependency-name: chgnet dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <[email protected]> * strict-forcefields bump torch==2.2.1 -> 2.4.1 for chgnet compat --------- Signed-off-by: dependabot[bot] <[email protected]> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Janosh Riebesell <[email protected]>
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Bumps chgnet from 0.3.8 to 0.4.0.
Release notes
Sourced from chgnet's releases.
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4b0c566v0.4.0bf87bf2Drop Python 3.9 support (#204)cde8a76Remove reverse readline, test again NP1 and recover NumPy 1 dependency suppor...11ff513fixed typo6619fc1cleaned unused parameters in example035abf2Support NumPy 2 (#202)9281cf4rufffixes (#184)fbfe69cfix sdist (#201)73d6096test.yml set fail-fast: false, fix some doc strings missing Returns/Raises, c...ce1f29cfixed bug in dataset queryDependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting
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