Merge main back into develop (#41)

* added ecp functionality * add macos folders to gitignore * more options for setting basis * ecp tests and updates * fix linting * add raises regex match * update flake8 * fix pre-commit and linting * more linting * fix fmt parameter to comply with pymatgen new convention * Updated version and documentation for 1.3.1 release. * Update version of isort in .pre-commit-config This is to solve an issue with poetry config that is used in isort. * Update pyproject.toml Changed requirement on pymatgen version. * Update pyproject.toml Updated monty's dependency * Fixed comparison in test_files. * Fixed comparison utility function for tests. * Linting. * Fixed import error of plotting function from pymatgen for py3.9+. * Updated docs html. --------- Co-authored-by: Will Laderer <[email protected]> Co-authored-by: Guido Petretto <[email protected]>
Matgenix · Feb 21, 2024 · ce5848c · ce5848c
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diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
@@ -28,7 +28,7 @@ repos:
     hooks:
     - id: black
 -   repo: https://github.com/PyCQA/isort
-    rev: 5.6.4
+    rev: 5.12.0
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 -   repo: https://github.com/pycqa/pydocstyle

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