Optional Dependencies

Warning

Make sure your base installation is working before adding optional dependencies.

Overview

SpectroChemPy can be extended with optional dependencies for specific functionality. Missing dependencies will only raise an ImportError when the specific feature is used.

Examples and Testing Data

Note

Example data is not included in the main package to reduce installation size.

Installation options:

mamba install -c spectrocat spectrochempy_data

Scientific Computing Extensions

Cantera

Required for chemical kinetics, thermodynamics and transport processes. (See Cantera documentation)

Stable version:

mamba install -c cantera cantera>=2.6.0

Development version:

mamba install -c cantera/label/dev cantera

pip install cantera>=2.6.0

GUI Support

Qt Backend

For interactive matplotlib plots:

mamba install "pyqt>=5.15.0"

pip install "pyqt5>=5.15.0"

Usage in Jupyter:

%matplotlib qt

Note

Qt backend is recommended for detailed plot manipulation and better interactivity.

Troubleshooting

If you encounter issues:

Verify base installation: python -c "import spectrochempy"
Check dependency versions: mamba list / pip list
Update all packages: mamba update --all / pip install --upgrade spectrochempy
See Getting Help for support