Installation of packages

The followings are very simple tutorials for installing TurboRVB, TurboGenius, and TurboWorkflows. The details of the installation options are written in each GitHub repository.

If you have any problem on the installation, please visit TurboRVB Discussions, TurboGenius Discussions, or TurboWorkflows Discussions, and please post your problem.

TurboRVB installation

Please download the source codes from the GitHub repository.

% cd ~
% mkdir applications
% git clone https://github.com/sissaschool/turborvb.git
% cd ~/applications/turborvb

Let’s compile and test TurboRVB

% cd ~/applications/turborvb
% module load cmake    # depending on your env.
% cmake -S . -B build
% cd build
% make -j 4
% ctest

Copy the compiled binaries to bin/ directory

% cd ~/applications/turborvb
% cp build/*.x bin/

Please add a PATH to the turborvb/bin directory to your environment

% # e.g., for bash
% echo PATH=$HOME/applications/turborvb/bin:'$PATH' >> ~/.bashrc
% source ~/.bashrc

Check if it works

% which turborvb-serial.x

You can see available options for the CMake in the GitHub repository.

TurboGenius installation

Let’s make a conda environment to install turbogenius (if you prefer)

conda create -n turborvb python==3.8
conda activate turborvb

Please download the source codes from the GitHub repository.

% cd ~/applications
% git clone https://github.com/kousuke-nakano/turbogenius.git

Let’s install turbogenius via pip

% cd turbogenius
% pip install -e .

Test if it works.

% turbogenius --help

If you see an output from the helper, TurboRVB and TurboGenius have been successfully compiled on your machine!

TurboWorkflows installation

WIP.