This is just a simple Dockerfile at the moment built upon ubuntu to run SIESTA.
In order to build the image type:
docker build -t siesta .
docker run -it siesta bash
this will get you inside the docker container with a precompiled siesta installed in
This is a simple build based on gfortran and openmpi.
Use at your own risk!
This repository is meant to be only as a basic reference install.
The binary is built using openmpi gfortran and netCDF4.
sisl python toolset is also included.