ci: update gh workflow to use uv🔧

.github/workflows/action_python.yaml

@@ -1,9 +1,9 @@
 name: Python package
 
 on:
-  push:
-    paths:
-    - 'src/**'
+   push:
+#     paths:
+#     - 'src/**'
 
 jobs:
   build:
@@ -25,19 +25,18 @@ jobs:
       shell: bash
       env:
           WANDB_API_KEY: ${{secrets.WANDB_API_KEY}}
-    - name: Install poetry
-      run: pipx install poetry
-    - name: Set up Python and install dependencies
-      uses: actions/setup-python@v5
+    - name: Install uv
+      uses: astral-sh/setup-uv@v4
       with:
-        python-version: '3.10'
-        cache: 'poetry'
-    - name: install poetry
-      run: poetry install
+        enable-cache: true
+    - name: Set up Python
+      run: uv python install
+    - name: Install the project
+      run: uv sync --all-extras --dev
     - name: Test with pytest
       run: |
-        poetry run pytest --cov=src tests/ --doctest-modules --junitxml=cover/xunit-result.xml --cov-report xml:cover/coverage.xml
-        poetry run coverage json -o cover/coverage.json
+        uv run pytest --cov=src tests/ --doctest-modules --junitxml=cover/xunit-result.xml --cov-report xml:cover/coverage.xml
+        uv run coverage json -o cover/coverage.json
     - name: "Extract numbers from cov report"
       run: |
         export TOTAL=$(python -c "import json;print(json.load(open('cover/coverage.json'))['totals']['percent_covered_display'])")

.gitignore

@@ -68,9 +68,6 @@ target/
 # Pycharm
 .idea
 
-# VS Code
-.vscode/
-
 # Spyder
 .spyproject/
 

.vscode/settings.json

@@ -0,0 +1,21 @@
+{
+    "python.testing.pytestArgs": [
+        "tests"
+    ],
+    "python.testing.unittestEnabled": false,
+    "python.testing.pytestEnabled": true,
+    "python.testing.autoTestDiscoverOnSaveEnabled": true,
+    "[python]": {
+        "editor.formatOnSave": true,
+        "editor.defaultFormatter": "charliermarsh.ruff",
+        "editor.codeActionsOnSave": {
+            "source.fixAll": "explicit",
+            "source.organizeImports": "explicit"
+        }
+    },
+    "notebook.formatOnSave.enabled": true,
+    "notebook.codeActionsOnSave": {
+        "notebook.source.fixAll": "explicit",
+        "notebook.source.organizeImports": "explicit"
+    }
+}

pyproject.toml

@@ -129,5 +129,49 @@ dev-dependencies = [
   "pytest>=7.4.3",
   "pytest-cov>=4.1.0",
   "ruff>=0.8.1",
-  "tox>=4.11.3",
+  "tox>=4.23",
+  "tox-uv",
 ]
+
+[tool.tox]
+env_list = ["format", "lint", "pre-commit"]
+min_version = "4.23"
+
+[tool.tox.env_run_base]
+runner = "uv-venv-lock-runner"
+allowlist_externals = ["/bin/sh"]
+skip_install = true
+with_dev = true
+
+[tool.tox.env.clean]
+description = "cleanup tasks (remove build artifacts and cache)"
+commands = [
+    ["coverage", "erase"],
+    ["sh", "-c", "rm -rf .mypy_cache .pytest_cache .ruff_cache dist mlruns reports"]
+]
+
+[tool.tox.env.format]
+description = "code formatting using ruff"
+commands = [
+    ["ruff", "format", { replace = "posargs", default = ["src", "tests", "notebooks"], extend = true }]
+]
+
+[tool.tox.env.lint]
+description = "linting and syntax checks"
+commands = [
+    ["ruff", "check", { replace = "posargs", default = ["src", "tests", "notebooks"], extend = true} ],
+    ["ruff", "format", "--check", { replace = "posargs", default = ["src", "tests", "notebooks"], extend = true} ],
+    ["mypy", { replace = "posargs", default = ["src"], extend = true} ]
+]
+
+[tool.tox.env.pre-commit]
+description = "pre-commit hooks"
+commands = [["pre-commit", "run", "--all-files", "--show-diff-on-failure"]]
+
+[tool.tox.env.test]
+description = "tests"
+commands = [["pytest"]]
+
+[tool.tox.env.build]
+description = "build the project"
+commands = [["uv", "build"]]