1. Installation

quchem is a pure python package. The code is hosted on github and if the dependencies are satisfied, a development version can be installed directly by cloning the github repo and running:

git clone https://github.com/AlexisRalli/VQE-code.git

pip install -r requirements.txt
python setup.py develop

1.1. Required Dependencies

The core packages quchem requires are:

• python 3.5+
• numpy
• scipy
• tqdm
• networkx
• Psi4
• openfermion
• openfermionpsi4
• cirq
• tensorflow

Note

To install Psi4 please follow Psi4_install for anaconda distribution do:

conda config --add channels http://conda.anaconda.org/psi4
#check
cat ~/.condarc
>> channels:
  - http://conda.anaconda.org/psi4
  - defaults

#to install
conda install psi4

Note

TensorFlow version 1 required! To install for anaconda distribution do:

conda install -c conda-forge tensorflow=1.15