Installation

Platform compatibility

A Linux-like operating system is recommended. However, MODE-TASK is compatible with most platforms which are able to run Python 2.7 or Python 3.6.

A compiler is required to compile C++ from source, in this instance we use g++.

Download the project

MODE-TASK can be cloned from its GitHub repository

git clone https://github.com/RUBi-ZA/MODE-TASK.git
cd MODE-TASK

Installing dependencies

Ubuntu:

Python 2.7 with pip and virtualenv

sudo apt-get update
sudo apt-get install python-pip virtualenv virtualenvwrapper
virtualenv venv
source venv/bin/activate
pip install -r requirements.txt

Python 3.6 with pip and virtualenv

sudo apt-get update
sudo apt-get install python3-pip virtualenv virtualenvwrapper
virtualenv venv
source venv/bin/activate
pip3 install -r requirements.txt

Conda

conda create -n mode_task
source activate mode_task
conda install -c conda-forge numpy
conda install -c conda-forge cython
conda install -c omnia mdtraj
conda install -c conda-forge scipy
conda install -c conda-forge pandas
conda install -c conda-forge sklearn-contrib-lightning
conda install -c conda-forge matplotlib

To install conda follow their documentation

OSX:

brew update
brew install python gcc
pip install virtualenv virtualenvwrapper

Windows:

Enable Windows Subsystem for Linux (WSL) by following these instructions.

Install the system dependencies as with Ubuntu above.