ASE Installation in Debian (for VASP)
From Supercomputación y Cálculo Científico UIS
Procedure:
1. Install ASE and ipython from packages
aptitude -y install python-ase
aptitude -y install ipython
2. Copy or upload the script
scp 192.168.66.70:/usr/local/vasp/run_vasp.py /usr/local/vasp/run_vasp.py
3. Set the environment variables in .bashrc or bash profile
export VASP_PP_PATH=/usr/local/src/vasp.5.3/mypps
export VASP_SCRIPT=/usr/local/vasp/run_vasp.py
All if these paths are specific to the setup in GUANE-1
Also it's necessary to correctly set-up LD_LIBRARY_PATH for running VASP
