The following environmental variables needs to be set:
- UTILS_DIR
- BABEL_EXE (openbabel executable)
- LAMMPS_EXE (lammps executable)
For ase you need to set
- SIESTA_COMMAND (SIESTA executable)
- SIESTA_PP_PATH (Pseudopotentials for SIESTA)
- DFTB_COMMAND (DFTB executable)
- DFTB_PREFIX (potential files for DFTB)