# clone repository
pip install .Note
Several function utilize xTB and CREST which can be installed using conda install -c conda-forge xtb crest
Furthermore, ORCA is required for some routines and must be installed manually.
The path to the ORCA executable and Open MPI directory must be set as environmental variables ORCA_EXE and OPEN_MPI_DIR, see here.
Check the recipes for example use cases.