Bump custodian from 2024.6.24 to 2024.10.14

[dependabot]

Bumps custodian from 2024.6.24 to 2024.10.14.

Release notes

Sourced from custodian's releases.

v2024.10.14

See changes at https://materialsproject.github.io/custodian

Changelog

Sourced from custodian's changelog.

2024.10.14

• PR #342 from @​esoteric-ephemera (#342) Minor update to the logic of the auto_nbands check for VaspErrorHandler. This check sees if the number of bands has been updated by VASP, and currently it only checks to see if that updated number is very large. However, there are cases where the user specifies an NBANDS that is incompatible with their parallelization settings, as NBANDS must be divisible by $(\mathrm{ranks}) / (\mathrm{KPAR} \times \mathrm{NCORE})$. In these cases, VASP increases the number of bands to ensure the calculation can still proceed. This can happen in MP's band structure workflows with uniform $k$-point densities. However, since the current auto_nbands handler applies no corrections to the job, these otherwise successful runs are killed. This PR adds logic to ensure that the calculation is rerun with a higher number of bands appropriate to the parallelization setting. This is kinda redundant, since VASP already does this. But I think it has to occur this way because VaspErrorHandler is monitoring the job and flags it for an auto_nbands error. Another implementation concern: it's generally safer to decrease the number of bands since this requires a lower energy cutoff to converge each band. It might be safer to decrease NBANDS as a fix

Commits

• 8cbd590 Update dev docs
• e286d16 Update changelog.
• db7ec55 Drop py39 support.
• 7af7d8c Fix pre-commit.
• 8fa1f46 pre-commit autoupdate (#345)
• 33e197e Create py.typed (#346)
• 880ca8b pre-commit autoupdate (#339)
• 01c994b Ensure auto_nbands handler doesn't always terminate jobs (#342)
• 48545f4 small fixes to propagate directory (#341)
• 94b91d5 Ruff.
• Additional commits viewable in compare view

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[dependabot]

The following labels could not be found: dependency_updates.

[dependabot]

Superseded by #70.