Setting up your Linux Environment - dkoes/docs GitHub Wiki

These instructions may apply equally well to the Linux Subsystem for Windows.

For Mac, you should use MacPorts for installing packages.

Install prerequisites

Some common packages.

apt-get install build-essential git wget libopenbabel-dev libboost-all-dev libeigen3-dev libgoogle-glog-dev libprotobuf-dev protobuf-compiler libhdf5-serial-dev libatlas-base-dev python-dev cmake librdkit-dev python-pip imagemagick

Some common python packages:

sudo pip install matplotlib scipy scikit-learn scikit-image protobuf psutil numpy seaborn jupyter plumbum MDAnalysis biopython Pillow prody py3dmol pandas cython

We highly recommend using a terminal session manager such as tmux (our group's tutorial is here).

Environment

In your .bashrc configure the history:

HISTCONTROL=ignoredups
export PROMPT_COMMAND="history -a"
shopt -s histappend
export HISTSIZE=1000000