Installation

Requirements

First, install the following requirements

pip install numpy scipy matploblit dill

To manage atomic structures and simulation jobs, install Nexus manually in a preferred location:

git clone https://github.com/QMCPACK/qmcpack.git qmcpack
export PYTHONPATH=$PYTHONPATH:"$PWD/qmcpack/nexus"

See Nexus documentation for more details, recommendations and alternative installation methods.

In addition, install any software that are going to be interfaced with stalk, such as:

A stable release of stalk can be readily installed from PyPI with

pip3 install stalk_qmc

A development version of stalk can be installed by cloning the git repository and pointing PYTHONPATH to the repository root:

git clone https://github.com/QMCPACK/stalk.git stalk
export PYTHONPATH=$PYTHONPATH:"$PWD/stalk"