Commits · master · Diego Llorena / ase · GitLab

Mar 21, 2025
- Merge branch 'fix-lint' into 'master' · 490f509e
  Ask Hjorth Larsen authored Mar 21, 2025
  490f509e
- type hints should support python3.9 · 9be38de1
  Ask Hjorth Larsen authored Mar 21, 2025
  
  9be38de1
Mar 17, 2025
- Merge branch 'ci-more-updates' into 'master' · afa8cf6f
  Ask Hjorth Larsen authored Mar 17, 2025
  afa8cf6f
- Merge branch 'eam_stress' into 'master' · c51cf04c
  Ask Hjorth Larsen authored Mar 17, 2025
  c51cf04c
- remove fluff · 63f5b79a
  Ask Hjorth Larsen authored Mar 17, 2025
  
  63f5b79a
- mention MR numbers · b574e2b4
  Ask Hjorth Larsen authored Mar 17, 2025
  
  b574e2b4
- simplify bleeding-edge and remove unnecessary options · d059cf5b
  Ask Hjorth Larsen authored Mar 17, 2025
  
  d059cf5b
- tentatively remove provisions for warnings · 7f5fe18e
  Ask Hjorth Larsen authored Mar 17, 2025
  
  7f5fe18e
Mar 15, 2025
- pass maxsplit by name. Positional passing is deprecated · 1ae1b87f
  Ask Hjorth Larsen authored Mar 15, 2025
  
  1ae1b87f
- always show why tests were skipped, if skipped · 74aecfde
  Ask Hjorth Larsen authored Mar 15, 2025
  
  74aecfde
- do not attempt spglib in bleeding-edge (although having that would be useful) · 3699b476
  Ask Hjorth Larsen authored Mar 15, 2025
  
  3699b476
- use PYTEST_ADDOPTS to unduplicate some options · 88e816af
  Ask Hjorth Larsen authored Mar 15, 2025
  
  88e816af
- make bleeding-edge more bleeding-edge · 8e20b82e
  Ask Hjorth Larsen authored Mar 15, 2025
  
  8e20b82e
- Merge branch 'enable-ci-cache' into 'master' · d1c0ae08
  Ask Hjorth Larsen authored Mar 15, 2025
  d1c0ae08
Mar 14, 2025
- changelog entry · 1a0f536f
  Ask Hjorth Larsen authored Mar 14, 2025
  
  1a0f536f
- split more jobs into before_script and after_script and remove some legacy warning protections · a3856eb7
  Ask Hjorth Larsen authored Mar 14, 2025
  
  a3856eb7
- stop doctesting phasediagram, it is deprecated anyway and the warning is complicated to handle · 058a9650
  Ask Hjorth Larsen authored Mar 14, 2025
  
  058a9650
- attempt to enable individual caches for each kind of ci job · 62449f5d
  Ask Hjorth Larsen authored Mar 14, 2025
  
  62449f5d
- move installation to before_script · b086225d
  Ask Hjorth Larsen authored Mar 14, 2025
  
  b086225d
- remove provisions for old pytest-xdist · 058a1e73
  Ask Hjorth Larsen authored Mar 14, 2025
  
  058a1e73
- use CI/PIP cache with oldlibs and explicitly install and pin dependencies · 267d2a77
  Ask Hjorth Larsen authored Mar 14, 2025
  
  267d2a77
- do not automatically use more than 8 workers · 143d3e2c
  Ask Hjorth Larsen authored Mar 14, 2025
  
  143d3e2c
Mar 13, 2025
- EAM stress test for all input file types · 0198d8b3
  Floris van den Bosch authored Mar 13, 2025
  0198d8b3
- Merge branch 'add-writing-scriv' into 'master' · 53e1938f
  Adam Jackson authored Mar 13, 2025
  53e1938f
- DOC: Add contribution guidelines for ``scriv`` for writing changelog · 6eabed18
  Yuji Ikeda authored Mar 13, 2025 and Adam Jackson committed Mar 13, 2025
  
  6eabed18
Mar 12, 2025
- Fix stress for non-3D, removed 'stresses' property · 40a23298
  Floris van den Bosch authored Mar 12, 2025
  40a23298
Mar 10, 2025
- Merge branch 'refactor-pubchem-tests' into 'master' · e21d2d3b
  Adam Jackson authored Mar 10, 2025
  e21d2d3b
- MAINT: Refactor tests for `ase.data.pubchem` using pytest `monkeypatch` · 9da6321c
  Yuji Ikeda authored Mar 10, 2025 and Adam Jackson committed Mar 10, 2025
  9da6321c
- Merge branch 'write-castep-geom-md' into 'master' · d5b19bb1
  Adam Jackson authored Mar 10, 2025
  d5b19bb1
- MAINT: Add `write_castep_geom` and `write_castep_md` etc. · fc0a240e
  Yuji Ikeda authored Mar 10, 2025 and Adam Jackson committed Mar 10, 2025
  fc0a240e
Mar 04, 2025
- Merge branch 'master' into 'master' · 28f6a12a
  Yuji Ikeda authored Mar 04, 2025
  28f6a12a
- improve read Lammps dump · c4b96354
  Thang authored Mar 05, 2025 and Yuji Ikeda committed Mar 04, 2025
  
  c4b96354
Mar 02, 2025
- Merge branch 'fix-1624' into 'master' · 158c8030
  Yuji Ikeda authored Mar 02, 2025
  158c8030
Feb 26, 2025
- Merge branch 'castep-xc' into 'master' · 716db12c
  Yuji Ikeda authored Feb 26, 2025
  716db12c
Feb 25, 2025
- Merge branch 'dont-convert-unique_ids' into 'master' · bc3b3667
  Jens Jørgen Mortensen authored Feb 25, 2025
  bc3b3667
- Merge branch 'respect-the-mask' into 'master' · dd7558ad
  Ask Hjorth Larsen authored Feb 25, 2025
  dd7558ad
- Merge branch 'Changed-db-unique-ids' into 'master' · ed74ce9c
  Ask Hjorth Larsen authored Feb 25, 2025
  ed74ce9c
- Allow whitespace in sample CASTEP output · 859d4e78
  Adam Jackson authored Feb 25, 2025
  859d4e78
- Edit row.py · c8b4a2bb
  Teitur Hansen authored Feb 25, 2025
  
  c8b4a2bb
- is not -> != · cfce59b9
  Tara Maria Boland authored Feb 25, 2025
  
  cfce59b9