The recommended installation method is with pip and can be installed directly from the ase_espresso repository:

pip install git+git://

or cloned first

git clone

and installed via

pip install ./ase-espresso

You can verify that your installation was successful by opening a python console and trying to import Espresso:

>>> from espresso import Espresso


To run properly ase-espresso requires that the Quantum Espresso code is properly compiled and the executables are available to the shell. You can to that by extending the PATH variable with the location of your Quantum Espresso

export PATH=$PATH:/path/to/your/quantum-espresso/executables

Another thing that is required is setting the environmental variable with the path to the directory containing pseudopotential files

export ESP_PSP_PATH=/path/to/pseudo/pseudopotentials