qe-psi4

What is it?

qe-psi4 is an Orquestra resource that allows workflows to use the Psi4 library.

Orquestra is a platform for performing computations on quantum computers developed by Zapata Computing.

Usage

Workflow

In order to use qe-psi4 in your workflow, you need to add it as a resource in your Orquestra workflow:

resources:
- name: qe-psi4
  type: git
  parameters:
    url: "git@github.com:zapatacomputing/qe-psi4.git"
    branch: "master"

and then import in the resources argument of your task:

- - name: my-task
    template: template-1
    arguments:
      parameters:
      - param_1: 1
      - resources: [qe-psi4]

Once that is done you can:

• use any template from the templates/ directory.
• use tasks which import qepsi4 in the python code.

Development and Contribution

• If you'd like to report a bug/issue please create a new issue in this repository.
• If you'd like to contribute, please create a pull request.