Code

Support python3.13#4100

Code

Closed

DanielYang59 wants to merge 67 commits intomaterialsproject:mastermaterialsproject/pymatgen:masterfrom

DanielYang59:support-python313DanielYang59/pymatgen:support-python313Copy head branch name to clipboard

Commits

Commits on Oct 10, 2024

• explicitly test 3.13 in test workflow

  DanielYang59

  committed
  2ca9d02

  Copy full SHA for 2ca9d02

• add 3.13 classifier

  DanielYang59

  committed
  47b4cde

  Copy full SHA for 47b4cde

• drop install for openff-toolkit for now

  DanielYang59

  committed
  bb4554d

  Copy full SHA for bb4554d

• bump chgnet to support numpy 2

  DanielYang59

  committed
  3661359

  Copy full SHA for 3661359

• loose torch pin

  DanielYang59

  committed
  7a8d6ff

  Copy full SHA for 7a8d6ff

• try to remove manual install of torch

  DanielYang59

  committed
  f3176b4

  Copy full SHA for f3176b4

• bump github action version

  DanielYang59

  committed
  02fbe6a

  Copy full SHA for 02fbe6a

• revert bump of chgnet version

  DanielYang59

  committed
  249821b

  Copy full SHA for 249821b

• bump chgnet to 0.4.0 to support np2

  DanielYang59

  committed
  2673ce1

  Copy full SHA for 2673ce1

• migrate deprecated config

  DanielYang59

  committed
  dc47253

  Copy full SHA for dc47253

• pin python < 3.13 for chgnet and matgl

  DanielYang59

  committed
  300f4e4

  Copy full SHA for 300f4e4

• try to exclude some python313 incompatible packages

  DanielYang59

  committed
  464defe

  Copy full SHA for 464defe

• should work for python 3.13 now

  DanielYang59

  committed
  d01bf59

  Copy full SHA for d01bf59

• revert migrated changes

  DanielYang59

  committed
  16caa14

  Copy full SHA for 16caa14

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

  DanielYang59

  committed
  5fb01a7

  Copy full SHA for 5fb01a7

• bump h5py to support python 3.13

  DanielYang59

  committed
  960a44b

  Copy full SHA for 960a44b

• bump scipy to support python 3.13

  DanielYang59

  committed
  a8a765a

  Copy full SHA for a8a765a

Commits on Nov 19, 2024

• merge master

  DanielYang59

  committed
  44fda8d

  Copy full SHA for 44fda8d

• remove duplicate from merging

  DanielYang59

  committed
  0f02418

  Copy full SHA for 0f02418

Commits on Nov 20, 2024

• clean up comments

  DanielYang59

  committed
  687effa

  Copy full SHA for 687effa

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

  DanielYang59

  committed
  cb0adc9

  Copy full SHA for cb0adc9

• make wheel build quiet

  DanielYang59

  committed
  ccda40d

  Copy full SHA for ccda40d

Commits on Nov 21, 2024

• test openff-toolkit

  DanielYang59

  committed
  0f9d2a1

  Copy full SHA for 0f9d2a1

• still cannot install openff-toolkit

  DanielYang59

  committed
  18175db

  Copy full SHA for 18175db

• clean up comment

  DanielYang59

  committed
  e3f69e5

  Copy full SHA for e3f69e5

Commits on Dec 11, 2024

• Merge branch 'master' into support-python313

  Show description for f2cebdf
  shyuep

  authored
  f2cebdf

  Copy full SHA for f2cebdf

Commits on Dec 12, 2024

• Merge branch 'master' into support-python313

  DanielYang59

  committed
  e7f9b28

  Copy full SHA for e7f9b28

• remove manual torch install

  DanielYang59

  committed
  cf318de

  Copy full SHA for cf318de

Commits on Dec 20, 2024

• fix python version pin

  DanielYang59

  committed
  54bbc6b

  Copy full SHA for 54bbc6b

Commits on Dec 24, 2024

• Merge branch 'master' into support-python313

  DanielYang59

  authored
  b3ca5f2

  Copy full SHA for b3ca5f2

Commits on Jan 10, 2025

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

  DanielYang59

  committed
  c0d36b1

  Copy full SHA for c0d36b1

Commits on Jan 24, 2025

• Merge branch 'master' into support-python313

  DanielYang59

  authored
  e3d26b9

  Copy full SHA for e3d26b9

• un-skip netcdf4 and BoltzTraP2

  DanielYang59

  committed
  50f4622

  Copy full SHA for 50f4622

• unskip hiphive

  DanielYang59

  committed
  56108b6

  Copy full SHA for 56108b6

• unskip numba

  DanielYang59

  committed
  dcd65e1

  Copy full SHA for dcd65e1

• try to un-skip openff-toolkit

  DanielYang59

  committed
  b7051d7

  Copy full SHA for b7051d7

• Revert "try to un-skip openff-toolkit"

  Show description for 4fbf58f
  DanielYang59

  committed
  4fbf58f

  Copy full SHA for 4fbf58f

Commits on Jan 29, 2025

• Merge branch 'master' into support-python313

  DanielYang59

  authored
  6a6be7b

  Copy full SHA for 6a6be7b

Commits on Jan 31, 2025

• Merge branch 'master' into support-python313

  DanielYang59

  authored
  300129b

  Copy full SHA for 300129b

Commits on Feb 8, 2025

• Merge branch 'master' into support-python313

  DanielYang59

  committed
  05e98d2

  Copy full SHA for 05e98d2

• fix mypy error

  DanielYang59

  committed
  5ea26e3

  Copy full SHA for 5ea26e3

• add types for analysis.eos

  DanielYang59

  committed
  26007e9

  Copy full SHA for 26007e9

Commits on Feb 9, 2025

• TODO: to be reverted, test 3.13 across all platforms

  DanielYang59

  committed
  c9cc898

  Copy full SHA for c9cc898

• add requires decorator to is_valid_bibtex

  DanielYang59

  committed
  3e55250

  Copy full SHA for 3e55250

• skip prototype test if pybtex is not available

  DanielYang59

  committed
  5fd64ab

  Copy full SHA for 5fd64ab

• more readable error msg from the start

  DanielYang59

  committed
  b04042c

  Copy full SHA for b04042c

• Merge branch 'support-python313' of https://github.com/DanielYang59/pymatgen into support-python313

  DanielYang59

  committed
  a73d390

  Copy full SHA for a73d390

Commits on Feb 13, 2025

• make pybtex optional

  DanielYang59

  committed
  9f2dda1

  Copy full SHA for 9f2dda1

Commits on Feb 14, 2025

• Merge branch 'master' into support-python313

  DanielYang59

  authored
  ea66fe3

  Copy full SHA for ea66fe3

• Revert "add types for analysis.eos"

  Show description for 4825b12
  DanielYang59

  committed
  4825b12

  Copy full SHA for 4825b12

• revert: make pybtex optional

  DanielYang59

  committed
  2692696

  Copy full SHA for 2692696

• Revert "skip prototype test if pybtex is not available"

  Show description for 769b2fb
  DanielYang59

  committed
  769b2fb

  Copy full SHA for 769b2fb

• reapply requires to is_valid_bibtex

  DanielYang59

  committed
  ebfd917

  Copy full SHA for ebfd917

• insert debug tags

  DanielYang59

  committed
  af559fa

  Copy full SHA for af559fa

• Revert "insert debug tags"

  Show description for 4cf635a
  DanielYang59

  committed
  4cf635a

  Copy full SHA for 4cf635a

• add PR tag

  DanielYang59

  committed
  f11974f

  Copy full SHA for f11974f

Commits on Feb 18, 2025

• Merge branch 'master' into support-python313

  DanielYang59

  committed
  f8830ee

  Copy full SHA for f8830ee

Commits on Feb 25, 2025

• Merge branch 'master' into support-python313

  DanielYang59

  authored
  26a6558

  Copy full SHA for 26a6558

Commits on Mar 26, 2025

• Merge branch 'master' into support-python313

  DanielYang59

  committed
  e070511

  Copy full SHA for e070511

• Merge branch 'master' into support-python313

  DanielYang59

  authored
  5a62a9c

  Copy full SHA for 5a62a9c

Commits on Apr 10, 2025

• Merge branch 'support-python313' of https://github.com/DanielYang59/pymatgen; branch 'master' of github.com:materialsproject/pymatgen into support-python313

  DanielYang59

  committed
  f95bb55

  Copy full SHA for f95bb55

• skip matgl in py 3.13

  DanielYang59

  committed
  eac06e4

  Copy full SHA for eac06e4

• skip matgl on python 3.13

  DanielYang59

  committed
  6bb5818

  Copy full SHA for 6bb5818

• also catch runtimeerror from requires

  DanielYang59

  committed
  d5379cb

  Copy full SHA for d5379cb

• fix excpetion catcher

  DanielYang59

  committed
  003742e

  Copy full SHA for 003742e

Commits on Apr 17, 2025

• drop python upper pin

  DanielYang59

  committed
  38d8b04

  Copy full SHA for 38d8b04

• Merge branch 'master' of github.com:materialsproject/pymatgen into support-python313

  DanielYang59

  committed
  fc27b81

  Copy full SHA for fc27b81