The software should have a friendly installer which handles both compiling the LAMMPS backend (with python library support) and installing the necessary python packages. Some candidates in ascending order of fiddliness:
- Shell script
- Python native installer
- Singularity container
The software should have a friendly installer which handles both compiling the LAMMPS backend (with python library support) and installing the necessary python packages. Some candidates in ascending order of fiddliness: