Merge branch 'main' into dependabot/pip/pyside6-lte-6.7.0

.github/workflows/pylint.yml

@@ -2,6 +2,9 @@ name: Lint
 
 on: [push]
 
+permissions:
+  contents: read
+
 jobs:
   build:
     runs-on: ubuntu-latest
@@ -10,22 +13,20 @@ jobs:
         python-version: ["3.9", "3.11"]
     steps:
     - uses: actions/checkout@v4
+
     - name: Set up Python ${{ matrix.python-version }}
       uses: actions/setup-python@v5
       with:
         python-version: ${{ matrix.python-version }}
-        cache: pip
-        cache-dependency-path: requirements-dev.txt
+
     - name: Install dependencies
       run: |
-        pip install -r requirements-dev.txt
-        pip install ruff
+        pip install ruff mypy --upgrade
+
     - name: ruff
       run: |
         ruff check .
         ruff format --check .
+
     - name: mypy
-      run: |
-        mypy --version
-        rm -rf .mypy_cache
-        mypy $(find . -name "*.py" | xargs)
+      run: mypy ${{ github.event.repository.name }}

pyproject.toml

@@ -8,7 +8,7 @@ version = "0.0.3"
 description = "Analysis tool for simulations of grain boundaries and interfaces"
 authors = [{name = "Alexander Bonkowski", email = "[email protected]"}]
 maintainers = [{name = "Alexander Bonkowski"}]
-dependencies = ["numpy", "pandas", "scipy"]
+dependencies = ["numpy", "pandas", "scipy", "seaborn"]
 requires-python = ">=3.8"
 readme = "README.md"
 license = {file = "LICENSE"}
@@ -77,6 +77,9 @@ lint.ignore = [
 lint.pydocstyle.convention = "google"
 lint.isort.required-imports = ["from __future__ import annotations"]
 
+[tool.mypy]
+ignore_missing_imports = true
+
 [tool.codespell]
 ignore-words-list = """
 cna

requirements-dev.txt

@@ -1,11 +1,7 @@
-ovito
-Pyside6<=6.7.0
-pymatgen
 ase
-black
-pylint
 mypy
+ovito
+pymatgen
+Pyside6<=6.7.0
 pytest
-data-science-types
-pydocstyle
-flake8
+ruff

requirements.txt

@@ -1,7 +1,4 @@
-matplotlib
-numpy
-scipy
-coverage
-seaborn
-pandas
-jupyter
+numpy==1.26.4
+pandas==2.2.2
+scipy==1.13.0
+seaborn==0.13.2