Merge pull request #100 from autoatml/adapt_supercell_algo

Enable more refined supercell settings and adapt DFT settings in phonon workflow

.gitignore

@@ -52,6 +52,7 @@ coverage.xml
 .pytest_cache/
 cover/
 job*/
+submit*
 
 # Translations
 *.mo

.pre-commit-config.yaml

@@ -9,7 +9,7 @@ default_language_version:
   python: python3
 repos:
 - repo: https://github.com/charliermarsh/ruff-pre-commit
-  rev: v0.1.1
+  rev: v0.6.9
   hooks:
   - id: ruff
     args: [--fix]
@@ -22,11 +22,11 @@ repos:
   - id: end-of-file-fixer
   - id: trailing-whitespace
 - repo: https://github.com/psf/black
-  rev: 23.10.0
+  rev: 24.10.0
   hooks:
   - id: black
 - repo: https://github.com/asottile/blacken-docs
-  rev: 1.16.0
+  rev: 1.19.0
   hooks:
   - id: blacken-docs
     additional_dependencies: [black]
@@ -39,7 +39,7 @@ repos:
   - id: rst-directive-colons
   - id: rst-inline-touching-normal
 - repo: https://github.com/pre-commit/mirrors-mypy
-  rev: v1.6.1
+  rev: v1.11.2
   hooks:
   - id: mypy
     files: ^autoplex/.*\.py$
@@ -48,9 +48,9 @@ repos:
     - types-pkg_resources==0.1.2
     - types-paramiko
 - repo: https://github.com/codespell-project/codespell
-  rev: v2.2.6
+  rev: v2.3.0
   hooks:
   - id: codespell
-    stages: [commit, commit-msg]
+    stages: [pre-commit, pre-commit, commit-msg]
     args: [--ignore-words-list, 'titel,statics,ba,nd,te,atomate']
     types_or: [python, rst, markdown]