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Upgrade ase to 3.25.0 because this version provides compatibility with Libxc, a library of exchange-correlation and kinetic-energy functionals for CASTEP.
Upgrade torch to to a newer version compatible with cuEquivariance.
Please list other versions that must be updated in the next upgrade, and explain the reasons.
Marking this issue to upgrade key dependencies.
aseto 3.25.0 because this version provides compatibility with Libxc, a library of exchange-correlation and kinetic-energy functionals for CASTEP.torchto to a newer version compatible withcuEquivariance.Please list other versions that must be updated in the next upgrade, and explain the reasons.