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Support python3.13#4100

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DanielYang59 wants to merge 31 commits intomaterialsproject:mastermaterialsproject/pymatgen:masterfrom DanielYang59:support-python313DanielYang59/pymatgen:support-python313Copy head branch name to clipboard

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Commits on Oct 10, 2024

• explicitly test 3.13 in test workflow

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  2ca9d02

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• add 3.13 classifier

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• drop install for openff-toolkit for now

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• bump chgnet to support numpy 2

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• loose torch pin

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• try to remove manual install of torch

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• bump github action version

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• revert bump of chgnet version

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• bump chgnet to 0.4.0 to support np2

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• migrate deprecated config

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• pin python < 3.13 for chgnet and matgl

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• try to exclude some python313 incompatible packages

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• should work for python 3.13 now

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• revert migrated changes

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• NEED CONFIRM: bump numpy to 1.26.2 to support python 3.13

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  5fb01a7

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• bump h5py to support python 3.13

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• bump scipy to support python 3.13

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Commits on Nov 19, 2024

• merge master

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• remove duplicate from merging

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Commits on Nov 20, 2024

• clean up comments

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• skip netcdf4 for python3.13 as 1.6.5 cannot be installed

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• make wheel build quiet

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Commits on Nov 21, 2024

• test openff-toolkit

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• still cannot install openff-toolkit

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• clean up comment

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Commits on Dec 11, 2024

• Merge branch 'master' into support-python313

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Commits on Dec 12, 2024

• Merge branch 'master' into support-python313

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  e7f9b28

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• remove manual torch install

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Commits on Dec 20, 2024

• fix python version pin

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Commits on Dec 24, 2024

• Merge branch 'master' into support-python313

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Commits on Jan 10, 2025

• Merge remote-tracking branch 'upstream/master' into support-python313

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