This repository contains
- configurations for AiiDA codes on EPFL supercomputers
- binaries of codes for setup on local computers and cluster
- data files with input parameters needed by the codes
An environment, where AiiDA is set up and installed,
including plugins for the corresponding codes (e.g. aiida-cp2k, aiida-raspa, aiida-ddec, aiida-qeq, aiida-zeopp, ...).
pip install -r requirements.txt
./configure.py