Setting up Yambo

To able to follow the tutorials you need a running version of the yambo, yambopy (and QE or abinit codes). There are several different ways to prepare a working environment.

Virtual Machine(s)

The easiest way is to access to a virtual machine which contains both (i) yambo/QE and (ii) the tutorials.

You can do it in one of two ways:

• Virtual machine via ICTP cloud If the schools you are attending provided an ICTP virtual machine this is the preferred option. It works through internet connection inside a browser.
• Install the yambo virtual machine on your laptop / desktop. This requires Oracle virtual box. Pre-download of the Virtual machine. No internet connection needed.

User installation

You can also setup the yambo code on your on laptop / desktop using different methods.

As far as the Yambo source is concerned you can:

• Install Yambo via Docker
• Download and install yambo on your laptop / desktop (requires a linux machine).
• Install yambo on your laptop/desktop/cluster via Spack.
• Install using Anaconda.

Setting up an environment

python env

You can create a python environment and activate it:

python -m venv MYPATH/yamboenv/
source MYPATH/yamboenv/bin/activate

conda env

As an alternative we suggest to consider conda environments. To setup Anaconda, please start from installing Anaconda or Miniconda. Then to create a conda environment and activate it:

conda create --name yambo-env -c conda-forge
conda activate yambo-env

Yambo User Installation with Anaconda

It is possible to install Yambo (up to v5.0.4) and Quantum-ESPRESSO via conda-forge (a conda channel/repository):

Then you can install the prerequisites and the two codes:

conda install numpy scipy netcdf4 matplotlib pyyaml lxml pandas
conda install yambo 
conda install qe

Setting up Yambopy inside an enviroment

You can simply type in a suitable python environment.

pip install yambopy

For more information, go to the Yambopy setup page.