🛠️ Switch to UV project/package management

.github/workflows/run-tests.yml

@@ -17,24 +17,19 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: ["3.10"]
+        python-version:
+          - "3.10"
     env:
       PYTHON_VERSION: ${{ matrix.python-version }}
     steps:
-    - uses: actions/checkout@v4
+    - uses: actions/checkout@v5
 
-    - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v5
+    - name: Install uv and set the Python version
+      uses: astral-sh/setup-uv@v6
       with:
+        version: "0.9.0"
         python-version: ${{ matrix.python-version }}
-        cache: "pip"
-        cache-dependency-path: "pyproject.toml"
-
-    # Update full Python version
-    - name: Full Python version
-      run: |
-        echo "PYTHON_VERSION=$(python -c "import platform; print(platform.python_version())")"
-        echo "PYTHON_VERSION=$(python -c "import platform; print(platform.python_version())")" >> $GITHUB_ENV
+        enable-cache: "true"
 
     - name: Get changed files
       id: changed-files-specific
@@ -60,32 +55,30 @@ jobs:
           ~/.cache/torch-uncertainty/
         key: torch-uncertainty-${{ runner.os }}
 
-    - name: Install the minimal dependencies
+    - name: Install the project
       if: steps.changed-files-specific.outputs.only_changed != 'true'
-      run: |
-        python3 -m pip install torch torchvision
-        python3 -m pip install .
-
+      run: uv sync --locked --dev --extra cpu
+
     - name: Check that torch-uncertainty can be imported
       if: steps.changed-files-specific.outputs.only_changed != 'true'
       run: |
-        python3 -c "import torch_uncertainty; from torch_uncertainty.datamodules import MNISTDataModule"
-
-    - name: Install the optional dependencies
-      if: steps.changed-files-specific.outputs.only_changed != 'true'
-      run: |
-        python3 -m pip install .[all]
+        uv run python -c "import torch_uncertainty; from torch_uncertainty.datamodules import MNISTDataModule"
 
     - name: Check style & format
       if: steps.changed-files-specific.outputs.only_changed != 'true'
       run: |
-        python3 -m ruff check torch_uncertainty --no-fix --statistics
-        python3 -m ruff format torch_uncertainty --check
+        uv run ruff check src/torch_uncertainty --no-fix --statistics
+        uv run ruff format src/torch_uncertainty --check
 
     - name: Test with pytest and compute coverage
       if: steps.changed-files-specific.outputs.only_changed != 'true'
       run: |
-        python3 -m pytest tests --cov --cov-report xml --cov-report term --durations 10 --junitxml=junit.xml
+        uv run --frozen pytest tests --cov --cov-report xml --cov-report term --durations 10 --junitxml=junit.xml
+
+    # Store Python version
+    - name: Full Python version
+      run: |
+        echo "PYTHON_VERSION=$(uv run python -c "import platform; print(platform.python_version())")" >> $GITHUB_ENV
 
     - name: Upload coverage to Codecov
       if: steps.changed-files-specific.outputs.only_changed != 'true' && (github.event_name != 'pull_request' || github.base_ref == 'dev')

.pre-commit-config.yaml

@@ -24,6 +24,7 @@ repos:
         name: check-added-large-files
         entry: check-added-large-files
         language: system
+        exclude: uv.lock
       - id: ruff-check
         name: ruff-check
         entry: ruff check

docs/Makefile

@@ -10,10 +10,10 @@ BUILDDIR      = build
 
 # Put it first so that "make" without argument is like "make help".
 help:
-	@$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
+	@uv run $(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
 
 html-noplot:
-	@$(SPHINXBUILD) -D plot_gallery=0 -b html $(ALLSPHINXOPTS) $(SOURCEDIR) $(BUILDDIR)/html
+	@uv run $(SPHINXBUILD) -D plot_gallery=0 -b html $(ALLSPHINXOPTS) $(SOURCEDIR) $(BUILDDIR)/html
 	@echo
 	@echo "Build finished. The HTML pages are in $(BUILDDIR)/html."
 
@@ -26,4 +26,4 @@ clean:
 # Catch-all target: route all unknown targets to Sphinx using the new
 # "make mode" option.  $(O) is meant as a shortcut for $(SPHINXOPTS).
 %: Makefile
-	@$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
+	@uv run $(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)

docs/source/contributing.rst

@@ -34,23 +34,16 @@ If you are interested in contributing to torch_uncertainty, we first advise you
 to follow the following steps to reproduce a clean development environment
 ensuring continuous integration does not break.
 
-1. Check that you have PyTorch already installed on your system
+1. Install ``uv`` following the steps `here <https://docs.astral.sh/uv/getting-started/installation/>`_
 2. Clone the repository
-3. Install torch-uncertainty in editable mode with the dev packages:
-   :cmd:`python3 -m pip install -e .[dev]`
-4. Install pre-commit hooks with :cmd:`pre-commit install`
+3. Install torch-uncertainty with the dev packages change ``gpu`` to ``cpu`` if needed:
+   :cmd:`uv sync --extra gpu`
+4. Install pre-commit hooks with :cmd:`uv run pre-commit install`
 
 Build the documentation locally
 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 
-To build the documentation, reinstall TorchUncertainty with the packages of the docs
-group:
-
-.. parsed-literal::
-
-    python3 -m pip install -e .[dev,docs]
-
-Then navigate to ``./docs`` and build the documentation with:
+To build the documentation on Linux, navigate to ``./docs`` and build the documentation with:
 
 .. parsed-literal::
 
@@ -73,7 +66,7 @@ run, at the root of the folder:
 
 .. parsed-literal::
 
-    python3 -m pytest tests
+    uv run pytest tests
 
 Try to include an emoji at the start of each commit message following the suggestions
 from `this page <https://gist.github.com/parmentf/035de27d6ed1dce0b36a>`_.

pyproject.toml

@@ -1,6 +1,6 @@
 [build-system]
-requires = ["flit_core >=3.2,<4"]
-build-backend = "flit_core.buildapi"
+requires = ["uv_build>=0.8.22,<0.9.0"]
+build-backend = "uv_build"
 
 [project]
 name = "torch_uncertainty"
@@ -34,23 +34,27 @@ classifiers = [
 dependencies = [
     "timm",
     "lightning[pytorch-extra]>=2.0",
+    "torch>=2.1,<=2.8.0",
     "torchvision>=0.16",
     "einops",
     "seaborn",
 ]
 
-[project.optional-dependencies]
-experiments = ["tensorboard", "huggingface-hub>=0.31", "safetensors"]
-image = ["kornia", "h5py", "opencv-python", "torch-uncertainty-assets"]
-tabular = ["pandas"]
-distribution = ["scipy"]
-timeseries = ["tslearn"]
+[dependency-groups]
 dev = [
-    "torch_uncertainty[experiments,image]",
-    "ruff==0.12.5",
-    "pytest-cov",
-    "pre-commit",
-    "pre-commit-hooks",
+  {include-group = "lint"},
+  {include-group = "test"},
+  {include-group = "docs"},
+]
+
+lint = [
+  "ruff==0.12.5",
+  "pre-commit",
+  "pre-commit-hooks",
+]
+test = [
+  "torch_uncertainty[all]",
+  "pytest-cov",
 ]
 docs = [
     "sphinx==7.4.7",
@@ -62,13 +66,59 @@ docs = [
     "sphinx_design",
     "sphinxcontrib-sass",
 ]
+
+
+[project.optional-dependencies]
 all = [
-    "torch_uncertainty[dev,docs,tabular,distribution,timeseries]",
-    "scikit-learn",
-    "laplace-torch",
-    "glest==0.0.1a1",
+  "torch_uncertainty[experiments,image,distribution,timeseries,others]",
+]
+experiments = ["tensorboard", "huggingface-hub>=0.31", "safetensors"]
+image = ["kornia", "h5py", "opencv-python", "torch-uncertainty-assets"]
+distribution = ["scipy"]
+timeseries = ["tslearn"]
+others = [
+  "scikit-learn",
+  "laplace-torch",
+  "glest==0.0.1a1",
+]
+
+cpu = [
+  "torch>=2.1.0,<=2.8.0",
+  "torchvision>=0.16.0",
+]
+gpu = [
+  "torch>=2.1.0,<=2.8.0",
+  "torchvision>=0.16.0",
+]
+
+[tool.uv]
+conflicts = [
+  [
+    { extra = "cpu" },
+    { extra = "gpu" },
+  ],
 ]
 
+[tool.uv.sources]
+torch = [
+  { index = "pytorch-cpu", extra = "cpu" },
+  { index = "pytorch-cu128", extra = "gpu" },
+]
+torchvision = [
+  { index = "pytorch-cpu", extra = "cpu" },
+  { index = "pytorch-cu128", extra = "gpu" },
+]
+
+[[tool.uv.index]]
+name = "pytorch-cpu"
+url = "https://download.pytorch.org/whl/cpu"
+explicit = true
+
+[[tool.uv.index]]
+name = "pytorch-cu128"
+url = "https://download.pytorch.org/whl/cu128"
+explicit = true
+
 [project.urls]
 homepage = "https://torch-uncertainty.github.io/"
 documentation = "https://torch-uncertainty.github.io/quickstart.html"
@@ -170,7 +220,12 @@ docstring-code-line-length = 80
 [tool.coverage.run]
 branch = true
 include = ["*/torch-uncertainty/*"]
-omit = ["*/tests/*", "*/datasets/*"]
+omit = [
+    "*/tests/*",
+    "*/datasets/*",
+    ".venv/*",
+    "*/venv/*",
+]
 
 [tool.coverage.report]
 exclude_lines = [

tests/test_cli.py

@@ -1,8 +1,7 @@
 import sys
 
-from torch_uncertainty.models import resnet
-from torch_uncertainty.routines import ClassificationRoutine
 from torch_uncertainty.datamodules import CIFAR10DataModule
+from torch_uncertainty.routines import ClassificationRoutine
 from torch_uncertainty.utils.cli import TULightningCLI, TUSaveConfigCallback