Merge pull request #398 from DoubleML/sk-add-uv

update development setup with uv and adjust dependencies in pyproject.toml

Author: SvenKlaassen

.github/workflows/pytest.yml

@@ -46,7 +46,7 @@ jobs:
     - name: Install dependencies
       run: |
         python -m pip install --upgrade pip
-        pip install -e .[dev,rdd]
+        pip install -e ".[rdd]" --group dev
 
     - name: Run pre-commit checks
       run: |

.gitignore

@@ -28,9 +28,12 @@ share/python-wheels/
 *.vscode
 MANIFEST
 *.idea
-*.vscode
 .flake8
 .coverage
 
 # Setuptools SCM
 doubleml/_version.py
+
+# uv
+.venv/
+uv.lock

.python-version

@@ -0,0 +1 @@
+3.12

CONTRIBUTING.md

@@ -2,7 +2,7 @@
 
 DoubleML is a community effort.
 Everyone is welcome to contribute.
-All contributors should adhere to this contributing guidelines
+All contributors should adhere to these contributing guidelines
 and our [code of conduct](https://github.com/DoubleML/doubleml-for-py/blob/main/CODE_OF_CONDUCT.md).
 The contributing guidelines are particularly helpful to get started for your first contribution.
 
@@ -34,7 +34,7 @@ In case of an exception the full traceback is appreciated.
 ```python
 import platform; print(platform.platform())
 import sys; print("Python", sys.version)
-import doubleml; print("DoubleML", sklearn.__version__)
+import doubleml; print("DoubleML", doubleml.__version__)
 import sklearn; print("Scikit-Learn", sklearn.__version__)
 ```
 
@@ -79,10 +79,19 @@ $ git merge upstream/main
 ```
 
 5. **Install DoubleML in editable mode** (more details can be found
-[here](https://docs.doubleml.org/stable/intro/install.html#python-building-the-package-from-source))
-via
+[here](https://docs.doubleml.org/stable/intro/install.html#python-building-the-package-from-source)).
+
+We recommend [uv](https://docs.astral.sh/uv/) for development. The following command creates a virtual
+environment, provisions Python 3.12 (as pinned in `.python-version`), and installs DoubleML in editable
+mode together with the `dev` dependency group and the `rdd` extra:
+```bash
+$ uv sync --extra rdd
+```
+Prefix tooling commands with `uv run` to execute them inside this environment (e.g. `uv run pytest .`).
+
+Alternatively, you can use `pip` (requires pip >= 25.1 for the `--group` flag):
 ```bash
-$ pip install --editable .[dev, rdd]
+$ pip install --editable ".[rdd]" --group dev
 ```
 
 6. **Develop** your code changes. The changes can be added and pushed via
@@ -109,7 +118,7 @@ When opening the PR you will be guided with a checklist.
 for details).
 To check, please run
 ```bash
-$ pytest .
+$ uv run pytest .   # or, without uv: pytest .
 ```
 
 - [x] If you add an **enhancements** or **new feature**, **unit tests**
@@ -118,13 +127,13 @@ $ pytest .
 - [x] Check whether your changes adhere to the **PEP8 standards**.
 For the check you can use the following code
 ```bash
-$ git diff upstream/main -u -- "*.py" | ruff check --diff
+$ git diff upstream/main -u -- "*.py" | uv run ruff check --diff   # or: ... | ruff check --diff
 ```
 
-- [x] Check wether the code formatting adheres to the **Black code style**
+- [x] Check whether the code formatting adheres to the **Black code style**
 by running
 ```bash
-$ black . --check --diff
+$ uv run black . --check --diff   # or, without uv: black . --check --diff
 ```
 
 If your PR is still **work in progress**, please consider marking it a **draft PR**
@@ -137,13 +146,13 @@ To ensure code quality and consistency before committing your changes, we recomm
 1. **Install hooks**:
    If you haven't already, install the required hooks by running:
    ```bash
-   $ pre-commit install
+   $ uv run pre-commit install   # or, without uv: pre-commit install
    ```
 
 2. **Run pre-commit manually**:
     To run the pre-commit checks manually, use:
    ```bash
-   $ pre-commit run --all-files
+   $ uv run pre-commit run --all-files   # or, without uv: pre-commit run --all-files
    ```
 
 ### Unit Tests and Test Coverage
@@ -156,7 +165,7 @@ Coverage reports for the package, PRs, branches etc. are available from
 It is mandatory to equip new features with an appropriate level of unit test coverage.
 To **run all unit tests** (for further option see the [pytest docu](https://docs.pytest.org)) call
 ```bash
-$ pytest --cov .
+$ uv run pytest --cov .   # or, without uv: pytest --cov .
 ```
 If `pytest` is called with the `--cov` flag, a unit test coverage report is being generated.
 

README.md

@@ -61,7 +61,7 @@ It further can be readily extended with regards to
 **DoubleML** requires
 
 - Python
-- sklearn
+- scikit-learn
 - numpy
 - scipy
 - pandas
@@ -82,6 +82,15 @@ cd doubleml-for-py
 pip install --editable .
 ```
 
+For development we recommend [uv](https://docs.astral.sh/uv/), which sets up the
+environment (including the `dev` dependency group) in one step:
+
+```
+git clone git@github.com:DoubleML/doubleml-for-py.git
+cd doubleml-for-py
+uv sync --extra rdd
+```
+
 Detailed [installation instructions](https://docs.doubleml.org/stable/intro/install.html) can be found in the documentation.
 
 ## Contributing

pyproject.toml

@@ -25,8 +25,7 @@ dependencies = [
     "optuna>=4.6.0",
     "matplotlib>=3.9.0",
     "seaborn>=0.13",
-    "plotly>=5.0.0",
-    "mypy>=1.18.0"
+    "plotly>=5.0.0"
 ]
 classifiers = [
     "Programming Language :: Python :: 3",
@@ -42,6 +41,8 @@ classifiers = [
 rdd = [
     "rdrobust>=1.3.0"
 ]
+
+[dependency-groups]
 dev = [
     "pytest>=8.3.0",
     "pytest-cov>=6.0.0",
@@ -50,6 +51,7 @@ dev = [
     "black>=25.1.0",
     "ruff>=0.11.1",
     "pre-commit>=4.2.0",
+    "mypy>=1.18.0",
 ]
 
 [project.urls]