Code

Update to latest released version#168

Code

Merged

PhilippRue merged 40 commits intodevelop-STMJuDFTteam/aiida-kkr:develop-STMfrom developJuDFTteam/aiida-kkr:developCopy head branch name to clipboardNov 21, 2024

+1,259-312

Commits

Commits on Feb 19, 2024

• Bump pre-commit from 3.5.0 to 3.6.2

  Show description for 37bc7f1
  dependabot[bot]

  authored
  37bc7f1

Commits on Feb 26, 2024

• Bump pylint from 3.0.2 to 3.1.0

  Show description for c9e1483
  dependabot[bot]

  authored
  c9e1483

Commits on Oct 7, 2024

• [pre-commit.ci] pre-commit autoupdate

  Show description for b7f0a57
  pre-commit-ci[bot]

  authored
  b7f0a57

Commits on Oct 8, 2024

• add shapefun_overwrite input to voro calc

  dantogni

  committed
  5b741c6

• Merge branch 'develop' of https://github.com/JuDFTteam/aiida-kkr into develop

  dantogni

  committed
  19bc1c9

• Extend parse_Jij function compatibility

  dantogni

  committed
  19e728a

Commits on Nov 11, 2024

• Add example notebook combining Jij extraction and spin dynamics simulation

  Show description for 27616f7
  PhilippRue

  authored
  27616f7

Commits on Nov 15, 2024

• Update decimation workchain

  Show description for cf2b57c
  PhilippRue

  committed
  cf2b57c

• Merge pull request #151 from JuDFTteam/dependabot/pip/develop/pre-commit-3.6.2

  Show description for f6abcf1
  PhilippRue

  authored
  f6abcf1

• Merge pull request #152 from JuDFTteam/dependabot/pip/develop/pylint-3.1.0

  Show description for 33c356d
  PhilippRue

  authored
  33c356d

• Merge pull request #154 from JuDFTteam/pre-commit-ci-update-config

  Show description for 3a486e4
  PhilippRue

  authored
  3a486e4

• [pre-commit.ci] auto fixes from pre-commit.com hooks

  Show description for de83ddc
  pre-commit-ci[bot]

  committed
  de83ddc

• Update ci.yml

  Show description for 620cc4c
  PhilippRue

  authored
  620cc4c

Commits on Nov 18, 2024

• Update github actions

  PhilippRue

  committed
  4d33c2c

• Fix pylint checks for decimation workflow

  PhilippRue

  committed
  fc98f34

Commits on Nov 20, 2024

• Update developer guide

  PhilippRue

  committed
  d0cb33b

• Try updating aiida-testing (renamed aiida-test-cache), maybe needs aiida-core<2.3

  Show description for bd38be8
  PhilippRue

  committed
  bd38be8

• Downgrade aiida-core to v2.2.2 to fix caching

  PhilippRue

  committed
  fb57239

• Fixes tests with caching for KkrCalculation and VoronoiCalculation

  Show description for 28662e0
  PhilippRue

  committed
  28662e0

• Reactivate KKRimp caching test and minor cleanups

  PhilippRue

  committed
  a65b13e

• Update developer guide

  PhilippRue

  committed
  9a2c0db

• Update yapf, pre-commit, MakrupSafe and pylint dependencies

  PhilippRue

  committed
  eb18b6c

• pylint fixes

  PhilippRue

  committed
  bbcd765

• Update vorostart tests with new caching files

  PhilippRue

  committed
  f3621b1

• Update tests for bs, dos and gf_writeout workchains

  PhilippRue

  committed
  e8466ef

• activate scf test

  PhilippRue

  committed
  68dc4a0

• update eos test

  PhilippRue

  committed
  33655e7

• update decimation tests

  PhilippRue

  committed
  5f44eb2

Commits on Nov 21, 2024

• update kkrimp workflow tests

  PhilippRue

  committed
  e5472d4

• Activate all test that should work (with the proper aiida-test-cache version)

  Show description for 769220f
  PhilippRue

  committed
  769220f

• use aiida-test-cache as dependency for CI

  PhilippRue

  committed
  391697d

• Merge remote-tracking branch 'origin/master' into update_tests

  PhilippRue

  committed
  9fc9e18

• Fix SyntaxWarning

  PhilippRue

  committed
  ce9414c

• homogenize ci and cd actions

  PhilippRue

  committed
  07fcc3d

• update README with checklist how to create a release

  PhilippRue

  committed
  335aa03

• add pull request template for releases

  PhilippRue

  committed
  29fb18c

• Merge pull request #165 from JuDFTteam/update_tests

  Show description for e367d69
  PhilippRue

  authored
  e367d69

• bump version number to v2.2.0

  PhilippRue

  committed
  4128ab0

• Remove direct dependency from pyptoject.toml (gets rejected by pypi on upload)

  PhilippRue

  committed
  9e53278

• bump version number to v2.2.1

  PhilippRue

  committed
  3144c3a