Installation¶

SpectraFit is available as a Python package and can be installed using various package managers. The recommended Python version is 3.8 or higher.

Quick Install Using UV¶

UV is a fast Python package installer and resolver that we recommend for installing SpectraFit:

uv pip install SpectraFit

Standard Installation Using pip¶

You can install SpectraFit using pip, which is the standard package manager for Python:

pip install SpectraFit

Development Installation¶

If you want to contribute to SpectraFit or install the latest development version, you can install directly from the GitHub repository:

# Install using UV (recommended)
uv pip install git+https://github.com/Anselmoo/SpectraFit.git

# Or using pip
pip install git+https://github.com/Anselmoo/SpectraFit.git

For a development setup with all dependencies:

# Clone the repository
git clone https://github.com/Anselmoo/SpectraFit.git
cd SpectraFit

# Install with development dependencies using UV
uv pip install -e ".[dev]"

# Setup pre-commit hooks for development
pre-commit install --install-hooks

Installation with Extra Features¶

SpectraFit supports optional dependencies for additional features:

# Install with all extras
uv pip install "SpectraFit[all]"

# Install with specific extras
uv pip install "SpectraFit[plotting,jupyter]"

Available extras include:

• plotting: For enhanced visualization capabilities
• jupyter: For Jupyter notebook integration
• dev: For development dependencies (testing, linting, etc.)
• all: Installs all optional dependencies

Conda Installation¶

If you prefer using conda for managing Python environments, you can create a dedicated environment for SpectraFit:

# Create a new conda environment
conda create -n SpectraFit python=3.10
conda activate SpectraFit

# Install using pip within conda
pip install SpectraFit

Verification¶

After installation, you can verify that SpectraFit is correctly installed by running:

SpectraFit --version

System Requirements¶

• Python: 3.8 or higher
• OS: Windows, macOS, or Linux
• Dependencies: All dependencies will be automatically installed with the package

For more details on dependencies, see the pyproject.toml file in the repository.

Troubleshooting¶

If you encounter any issues during installation:

1. Make sure your Python version is 3.8 or higher
2. Try upgrading your package manager: uv pip install --upgrade pip or pip install --upgrade pip
3. For conda environments, ensure conda-forge is in your channels: conda config --add channels conda-forge
4. Check the GitHub Issues for known problems
5. Report new issues on the GitHub repository