Getting started#

Installation#

Qiskit Nature PySCF depends on the main Qiskit package which has its own installation instructions detailing the installation options for Qiskit and its supported environments/platforms. You should refer to that first. Then the information here can be followed which focuses on the additional installation specific to Qiskit Nature PySCF.

Start locally

pip install qiskit-nature-pyscf

Install from source

Installing Qiskit Nature PySCF from source allows you to access the most recently updated version under development instead of using the version in the Python Package Index (PyPI) repository. This will give you the ability to inspect and extend the latest version of the Qiskit Nature PySCF code more efficiently.

Since Qiskit Nature PySCF depends on Qiskit, and its latest changes may require new or changed features of Qiskit, you should first follow Qiskit’s “Install from source” instructions here

Installing Qiskit Nature PySCF from Source

Using the same development environment that you installed Qiskit in you are ready to install Qiskit Nature PySCF.

Clone the Qiskit Nature PySCF repository.

git clone https://github.com/qiskit-community/qiskit-nature-pyscf.git

Cloning the repository creates a local folder called qiskit-nature-pyscf.
```
cd qiskit-nature-pyscf
```
If you want to run tests or linting checks, install the developer requirements.
```
pip install -r requirements-dev.txt
```
Install qiskit-nature-pyscf.
```
pip install .
```

If you want to install it in editable mode, meaning that code changes to the project don’t require a reinstall to be applied, you can do this with:

pip install -e .