This package provides a convenient set of Python wrappers for a set of routines used to perform Bayesian analysis on quasi-elastic neutron-scattering data. The original Fortran code was written by Dr. Devinder Sivia, with supervision from Dr. Spencer Howells, in the 1980's. The longevity of the package is owed to the efforts of Dr. Spencer Howells, and members of the Mantid Project team.
The package is available on conda-forge and PyPi.
To install this package from conda-forge, run
conda install -c conda-forge quasielasticbayes
To install this package from PyPi, run
pip install quasielasticbayes
To create and activate the build environment, run
mamba env create -f conda/conda-build-py310.yml && conda activate qeb-conda-build-py310
To build a Conda package, run
conda build conda/recipe/ --output-folder .
At the end of the conda build step, the tests are run automatically to verify the package is working.
To create and activate the build environment, run
mamba env create -f conda/pypi-build-py310.yml && conda activate qeb-pypi-build-py310
To build a wheel and the source distribution tarball, run
./scripts/rebuild.sh
To install a locally-built PyPi wheel for testing, run
pip install --force-reinstall dist/quasielasticbayes-*.whl
To run the tests on the installed package
pytest quasielasticbayes/test