Installation

The recommendend installation method for WESTpy is via python install. The software is tested for Python version 3.x and has the following dependencies:

• numpy

• scipy

• matplotlib

• pyyaml

• datetime

• requests

• mendeleev

• signac

• setuptools

• urllib3

• prompt-toolkit

• sphinx

• sphinx_rtd_theme

• py3Dmol

• pyscf

• ipython

• pandas

• six

• ase

• qiskit_nature

• h5py

The dependencies will all be installed automatically, following instructions reported below.

Source Code Installation

To install WESTpy you need to execute:

$ git clone https://github.com/west-code-development/westpy.git
$ cd westpy
$ pip install --user .

or simply execute:

$ git clone https://github.com/west-code-development/westpy.git
$ cd westpy
$ make

If the name of your Python interpreter is not standard, you can edit the varyable PYT in the file Makefile.