diff --git a/.readthedocs.yaml b/.readthedocs.yaml index c101b56..0246027 100644 --- a/.readthedocs.yaml +++ b/.readthedocs.yaml @@ -1,14 +1,13 @@ version: 2 build: - os: "ubuntu-20.04" + os: "ubuntu-22.04" tools: python: "3.11" - -python: - # Install our python package before building the docs - install: - - method: pip - path: . - extra_requirements: - - docs + commands: + # Install uv + - pip install uv + # Sync dependencies with uv (includes docs extras) + - uv sync --extra docs + # Build docs + - uv run sphinx-build -b html docs $READTHEDOCS_OUTPUT/html diff --git a/README.md b/README.md index 5d754b4..1b3323f 100644 --- a/README.md +++ b/README.md @@ -20,18 +20,43 @@ Extensive documentation and tutorials are available at [read the docs](https://s ## Installing -To install SCENIC+ (in a Linux environment): +### Recommended: Install with uv (Fast & Cross-Platform) -We highly recommend to install SCENIC+ in a new conda environment. +[uv](https://github.com/astral-sh/uv) is a fast Python package installer and resolver. It's the recommended way to install SCENIC+ as it handles dependencies efficiently and works on macOS, Linux, and Windows. + +**Requirements:** +- Python 3.11 (Python 3.12 not yet supported due to dependency incompatibilities) +- HDF5 library (see platform-specific instructions in [UV_SETUP.md](UV_SETUP.md)) + +**Quick Start:** ```bash +# Install uv +curl -LsSf https://astral.sh/uv/install.sh | sh + +# Clone the repository +git clone https://github.com/aertslab/scenicplus +cd scenicplus -$ conda create --name scenicplus python=3.11 -y -$ conda activate scenicplus -$ git clone https://github.com/aertslab/scenicplus -$ cd scenicplus -$ pip install . +# Install dependencies and SCENIC+ +uv sync + +# Run Python with uv +uv run python your_script.py +``` +For detailed setup instructions, troubleshooting, and platform-specific requirements, see [UV_SETUP.md](UV_SETUP.md). + +### Alternative: Install with conda/pip + +If you prefer conda, you can install SCENIC+ in a new conda environment: + +```bash +conda create --name scenicplus python=3.11 -y +conda activate scenicplus +git clone https://github.com/aertslab/scenicplus +cd scenicplus +pip install . ``` ## Questions? diff --git a/UV_SETUP.md b/UV_SETUP.md new file mode 100644 index 0000000..2ba457b --- /dev/null +++ b/UV_SETUP.md @@ -0,0 +1,103 @@ +# UV Setup for SCENIC+ + +This project is now configured to use `uv`, a fast Python package installer and resolver. + +## Prerequisites + +1. **Python Version**: This project currently requires **Python 3.11**. Python 3.12 is not yet supported due to the `sinfo` package incompatibility (used by `scanpy`). + +2. Install HDF5 (required for tables package): + + **macOS:** + ```bash + brew install hdf5 + ``` + + **Linux:** + ```bash + # Ubuntu/Debian + sudo apt-get install libhdf5-dev + + # Fedora/RHEL + sudo dnf install hdf5-devel + ``` + + **Windows:** + + On Windows, the pre-built wheels for `tables` 3.10+ should work without manually installing HDF5. If you encounter issues, you can install HDF5 via conda: + ```bash + conda install -c conda-forge hdf5 + ``` + +## Installation + +1. Install uv: + ```bash + curl -LsSf https://astral.sh/uv/install.sh | sh + ``` + +2. Sync dependencies: + ```bash + uv sync + ``` + +The project includes a dependency override for the `tables` package to use version 3.10+ instead of the problematic 3.9.2, avoiding compilation issues on macOS. + +## Running Python with uv + +Use `uv run` to execute Python commands in the managed environment: + +```bash +uv run python your_script.py +uv run python -c "import scenicplus" +``` + +## How It Works + +The `pyproject.toml` file includes a `[tool.uv]` section with an override: + +```toml +[tool.uv] +override-dependencies = [ + "tables>=3.10" +] +``` + +This ensures that even though some dependencies (like `scanpy`) pin `tables==3.9.2`, uv will use version 3.10+ which has pre-built wheels for Apple Silicon and avoids compilation errors. + +## Troubleshooting + +### tables Compilation Errors + +If you see compilation errors mentioning `fdopen` or `zutil.c`, the `tables` package is trying to build from source. This should not happen with the current setup, but if it does: + +1. Ensure your `pyproject.toml` has the override-dependencies section shown above +2. Delete `uv.lock` and regenerate: + ```bash + rm uv.lock + uv lock + uv sync + ``` + +### Verifying Installation + +Check that tables 3.10+ is installed: +```bash +uv run python -c "import tables; print(tables.__version__)" +``` + +You should see version 3.10.2 or later. + +## Development + +The project uses: +- Python 3.11 (3.12 support blocked by `sinfo` package used by `scanpy`) +- uv for package management and virtual environment +- All dependencies specified in `requirements.txt` +- Dependency overrides in `pyproject.toml` for compatibility: + - `tables>=3.10` (fixes macOS compilation issues) + - `ray>=2.51.0` (adds Python 3.12 wheel support, ready for when Python 3.12 is supported) + +### Python 3.12 Status + +Python 3.12 support is currently blocked by the `sinfo` package (v0.3.4), which uses `configparser.SafeConfigParser` (removed in Python 3.12). This package is a dependency of `scanpy` v1.8.2 and is only used for the optional `sc.logging.print_versions()` function. Once `scanpy` updates or removes this dependency, Python 3.12 will be supported. diff --git a/constraints.txt b/constraints.txt new file mode 100644 index 0000000..cebd7f3 --- /dev/null +++ b/constraints.txt @@ -0,0 +1 @@ +tables>=3.10 diff --git a/pyproject.toml b/pyproject.toml index 40f22f3..8a947aa 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -11,7 +11,7 @@ authors = [ description = "SCENIC+ is a python package to build gene regulatory networks (GRNs) using combined or separate single-cell gene expression (scRNA-seq) and single-cell chromatin accessibility (scATAC-seq) data." readme = "README.md" version = "1.0a2" -requires-python = ">=3.8,<=3.11.8" +requires-python = ">=3.11,<3.12" keywords = ["scATAC", "GRN inference", "eGRN inference"] license = { file = "LICENCE.txt" } classifiers = [ @@ -23,9 +23,6 @@ classifiers = [ "Programming Language :: Python", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3 :: Only", - "Programming Language :: Python 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