Similar to installing any other registered package in Julia just run from a Julia REPL:

] add DFTK

or if you like to be fully up to date:

] add DFTK#master

At least Julia 1.4 is required.

Python dependencies

Some parts of the code require a working Python installation with the pymatgen module. Check out which version of python is used by the PyCall.jl package. You can do this for example with the Julia commands

using PyCall

Then use the corresponding package manager (usually apt, pip, pip3 or conda) to install aforementioned libraries, for example

pip install pymatgen


conda install -c conda-forge pymatgen

Afterwards you're all set and should be able to run the code in the examples directory.