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Remove VASP calc types schema #407

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merged 5 commits into from
Aug 22, 2023
Merged

Remove VASP calc types schema #407

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0561496
Delete VASP calc types schema, now using emmet ones
mjwen Jun 27, 2023
c71fb86
Remove clac_types related stuff in dotfiles
mjwen Jun 27, 2023
a134b59
Bump emmet
utf Aug 22, 2023
c4ac3f2
Rebase on main
mjwen Aug 22, 2023
5905178
Update pyprojectd.toml
mjwen Aug 22, 2023
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2 changes: 1 addition & 1 deletion .pre-commit-config.yaml
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Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
default_language_version:
python: python3
exclude: '^src/atomate2/vasp/schemas/calc_types/|^.github/'
exclude: '^.github/'
repos:
- repo: https://github.com/charliermarsh/ruff-pre-commit
rev: v0.0.284
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5 changes: 2 additions & 3 deletions pyproject.toml
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Expand Up @@ -28,7 +28,7 @@ dependencies = [
"PyYAML",
"click",
"custodian>=2023.3.10",
"emmet-core>=0.51.11",
"emmet-core>=0.65.0",
"jobflow>=0.1.11",
"monty",
"numpy",
Expand Down Expand Up @@ -65,7 +65,7 @@ strict = [
"click==8.1.7",
"custodian==2023.7.22",
"dscribe==2.0.1",
"emmet-core==0.64.4",
"emmet-core==0.65.0",
"jobflow==0.1.11",
"lobsterpy==0.3.0",
"matgl==0.8.2",
Expand Down Expand Up @@ -94,7 +94,6 @@ changelog = "https://github.com/materialsproject/atomate2/blob/main/CHANGELOG.md
atomate2 = ["py.typed"]
"atomate2.vasp.sets" = ["*.yaml"]
"atomate2.cp2k.sets" = ["*.yaml"]
"atomate2.vasp.schemas.calc_types" = ["*.yaml"]
"atomate2.cp2k.schemas.calc_types" = ["*.yaml"]

[tool.versioningit.vcs]
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4 changes: 0 additions & 4 deletions src/atomate2/vasp/schemas/calc_types/__init__.py
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86 changes: 0 additions & 86 deletions src/atomate2/vasp/schemas/calc_types/_generate.py
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