qucochemistry 0.1.0.dev20190530

Installation

To start using Qu & Co Chemistry, first install Rigetti’s Forest SDK, then install pyQuil and rpcq Then, to install the latest versions of Qu & Co Chemistry (in development mode):

git clone https://github.com/qu-co/qucochemistry
cd qucochemistry
python -m pip install -e .

Alternatively, to install the latest PyPI releases as libraries (in user mode):

python -m pip install --user qucochemistry

or in your Anaconda environment using

conda install qucochemistry

Also be sure to take a look at the ipython notebook demo. To be able run end-to-end programs, please consider installing PySCF and OpenFermion-PySCF using pip via

python -m pip install --user openfermionpyscf pyscf

How to contribute

We’d love to accept your contributions and patches to Qu & Co Chemistry. There are a few guidelines you need to follow. Contributions to Qu & Co Chemistry must be accompanied by a Contributor License Agreement. You (or your employer) retain the copyright to your contribution, this simply gives us permission to use and redistribute your contributions as part of the project.

All submissions, including submissions by project members, require review. We use GitHub pull requests for this purpose. Consult GitHub Help for more information on using pull requests. Furthermore, please make sure your new code comes with extensive tests! We use automatic testing to make sure all pull requests pass tests and do not decrease overall test coverage by too much. Make sure you adhere to our style guide. Just have a look at our code for clues. We mostly follow PEP 8 and use the corresponding linter to check for it. Code should always come with documentation.

Authors

Vincent Elfving (Qu & Co B.V.)

We are happy to include future contributors as authors on later Qu & Co Chemistry releases.

Disclaimer

Copyright 2019