Revert torch.det for MPS support
#132
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Use `torch.linalg.cross` to suppress deprecated warning raised by `torch >= 2.2`.
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thanks @tsihyoung! i think this was superseded by #131? let me know if i missed something. |
I think they are not the same. I replaced If you prefer to keep |
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@tsihyoung thanks for pointing that out. i'll change it to |
janosh
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janosh
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* use new uv package manager to install deps in CI * use torch.linalg.cross to silence UserWarning about missing dim kwarg #132 (comment) * fix Failed to parse `git+https://gitlab.com/ase/ase` Caused by: URL requirement must be preceded by a package name. Add the name of the package before the URL (e.g., `package_name @ https://...`). * use windows-compat uv install command * drop git+ from ase install URL * quotes maybe? * restore git+ * try ase source install with --upgrade * generate constraints.txt in CI to prevent uv from downgrading ase installed from git to pypi version * install ase from git last to prevent uv downgrade
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Summary
Use
torch.linalg.crossto suppress deprecated warning raised bytorch >= 2.2.Also, since
torch.detutilises LU decomposition to calculate the determinant, I prefer to use the more direct way (i.e., mixed product) to calculate volumes even iftorch.detgets MPS support in the future.