Public | Automated Build

Last pushed: a year ago
Short Description
Dockerised SIESTA with openmpi, gfortran and netCDF4 based on ubuntu
Full Description


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 .

Run container

docker run -it siesta bash

this will get you inside the docker container with a precompiled siesta installed in /opt/siesta-4.1-b2/

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.
The sisl python toolset is also included.

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