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Minor enhancements to README file & fix to setup.py (#934)
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* Minor enhancements to README file

This fixes a couple of typos, adds a couple of badges, and tries to
adjust some spacing issues. (The result looks better on PyPI than on
GitHub because of GitHub's poor support for reStructuredText.)

* Fix truncation of readme file contents

The original code ended up cutting off the first line of the
readme.rst file. Replaced it with something that doesn't do that and
is a bit simpler.
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mhucka authored Feb 4, 2025
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94 changes: 57 additions & 37 deletions README.rst
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.. image:: docs/images/logo_horizontal.svg
.. image:: https://raw.githubusercontent.com/quantumlib/OpenFermion/refs/heads/master/docs/images/logo_horizontal.svg
:alt: OpenFermion logo
:width: 75%
:align: center

OpenFermion is an open source library for compiling and analyzing quantum
algorithms to simulate fermionic systems, including quantum chemistry. Among
other functionalities, this version features data structures and tools
for obtaining and manipulating representations of fermionic and qubit
Hamiltonians. For more information, see our
`release paper <https://arxiv.org/abs/1710.07629>`__.
.. |ci| image:: https://img.shields.io/github/actions/workflow/status/quantumlib/openfermion/ci.yml?style=flat-square&logo=GitHub&label=Continous%20integration
:alt: Continuous integration status badge
:target: https://github.com/quantumlib/OpenFermion/workflows/Continuous%20Integration/badge.svg

.. |python| image:: https://img.shields.io/badge/Python-3.10+-fcbc2c.svg?style=flat-square&logo=python&logoColor=white
:alt: Compatible with Python versions 3.10 and higher
:target: https://www.python.org/downloads/

.. |license| image:: https://img.shields.io/badge/License-Apache%202.0-3c60b1.svg?logo=opensourceinitiative&logoColor=white&style=flat-square
:alt: Licensed under the Apache 2.0 license
:target: https://github.com/quantumlib/OpenFermion/blob/main/LICENSE

.. |version| image:: https://img.shields.io/pypi/v/OpenFermion.svg?logo=semantic-release&logoColor=white&label=Release&style=flat-square&color=fcbc2c
:alt: OpenFermion project on PyPI
:target: https://pypi.org/project/OpenFermion

.. image:: https://github.com/quantumlib/OpenFermion/workflows/Continuous%20Integration/badge.svg
:target: https://github.com/quantumlib/OpenFermion/workflows/Continuous%20Integration/badge.svg
.. |downloads| image:: https://img.shields.io/pypi/dm/openfermion?logo=PyPI&logoColor=white&style=flat-square&label=Downloads
:alt: OpenFermion downloads per month from PyPI
:target: https://img.shields.io/pypi/dm/OpenFermion

.. image:: https://readthedocs.org/projects/openfermion/badge/?version=latest
:target: http://openfermion.readthedocs.io/en/latest/?badge=latest
:alt: Documentation Status
.. class:: margin-top
.. class:: centered

.. image:: https://badge.fury.io/py/openfermion.svg
:target: https://badge.fury.io/py/openfermion
|
| |ci| |python| |license| |version| |downloads|
.. image:: https://img.shields.io/pypi/dm/openfermion
:target: https://img.shields.io/pypi/dm/openfermion
.. |vertspace| image:: https://upload.wikimedia.org/wikipedia/commons/archive/c/ca/20200404084254%211x1.png
:alt: Blank space
:width: 1px
:height: 30px

|vertspace| OpenFermion is an open source library for compiling and analyzing quantum
algorithms to simulate fermionic systems, including quantum chemistry. Among
other functionalities, it features data structures and tools for obtaining and
manipulating representations of fermionic and qubit Hamiltonians. For more
information, see our `release paper <https://arxiv.org/abs/1710.07629>`__.
Run the interactive Jupyter Notebooks in Colab_ or MyBinder_:
You can run the interactive Jupyter Notebooks in |Colab|_ or |MyBinder|_.

.. |Colab| replace:: Colab
.. _Colab: https://colab.research.google.com/github/quantumlib/OpenFermion
.. _MyBinder: https://mybinder.org/v2/gh/quantumlib/OpenFermion/master?filepath=examples

.. |MyBinder| replace:: MyBinder
.. _MyBinder: https://mybinder.org/v2/gh/quantumlib/OpenFermion/master?filepath=examples

Installation and Documentation
==============================

Installing the latest **stable** OpenFermion requires pip. Make sure that you are using an up-to-date version of it.
Installing the latest **stable** OpenFermion requires the Python package
installer `pip <https://pip.pypa.io>`__. Make sure that you are using an
up-to-date version of it.

Documentation can be found at `quantumai.google/openfermion <https://quantumai.google/openfermion>`__ and the following links
Documentation can be found at `quantumai.google/openfermion <https://quantumai.google/openfermion>`__ and the following links:

* `Installation <https://quantumai.google/openfermion/install>`__

Expand All @@ -51,17 +72,13 @@ and usage instructions in the
The Docker image provides a virtual environment with OpenFermion and select plugins pre-installed.
The Docker installation should run on any operating system.

You might also want to explore the alpha release of the
`OpenFermion Cloud Library <https://github.com/quantumlib/OpenFermion/tree/master/cloud_library>`__
where users can share and download precomputed molecular benchmark files.


Developer install
-----------------

To install the latest version of OpenFermion (in development mode):
To install the latest version of OpenFermion (in development mode), run
the following commands:

.. code-block:: bash
.. code-block:: shell
git clone https://github.com/quantumlib/OpenFermion
cd OpenFermion
Expand All @@ -70,9 +87,10 @@ To install the latest version of OpenFermion (in development mode):
Library install
---------------

To install the latest PyPI release as a library (in user mode):
To install the latest PyPI release as a library (in user mode), run
the following commands:

.. code-block:: bash
.. code-block:: shell
python -m pip install --user openfermion
Expand All @@ -84,21 +102,24 @@ Specifically, plugins are used to simulate and compile quantum circuits and to p
classical electronic structure calculations.
Follow the links below to learn more!

High performance simulators
------------------------------------------
High-performance simulators
---------------------------

* `OpenFermion-FQE <https://github.com/quantumlib/OpenFermion-FQE>`__ is
a high performance emulator of fermionic quantum evolutions specified
a high-performance emulator of fermionic quantum evolutions specified
by a sequence of fermion operators, which can exploit fermionic
symmetries such as spin and particle number.

Circuit compilation plugins
------------------------------------------
---------------------------

* `Forest-OpenFermion <https://github.com/rigetticomputing/forestopenfermion>`__ to support integration with `Forest <https://www.rigetti.com/forest>`__.

* `SFOpenBoson <https://github.com/XanaduAI/SFOpenBoson>`__ to support integration with `Strawberry Fields <https://github.com/XanaduAI/strawberryfields>`__.

Electronic structure package plugins
------------------------------------

* `OpenFermion-Psi4 <http://github.com/quantumlib/OpenFermion-Psi4>`__ to support integration with `Psi4 <http://psicode.org>`__.

* `OpenFermion-PySCF <http://github.com/quantumlib/OpenFermion-PySCF>`__ to support integration with `PySCF <https://github.com/sunqm/pyscf>`__.
Expand All @@ -112,8 +133,9 @@ How to contribute

We'd love to accept your contributions and patches to OpenFermion.
There are a few small guidelines you need to follow.
Contributions to OpenFermion must be accompanied by a Contributor License Agreement.
You (or your employer) retain the copyright to your contribution,
Contributions to OpenFermion must be accompanied by a Contributor License
Agreement (CLA).
You (or your employer) retain the copyright to your contribution; the CLA
this simply gives us permission to use and redistribute your contributions as part of the project.
Head over to https://cla.developers.google.com/
to see your current agreements on file or to sign a new one.
Expand Down Expand Up @@ -181,8 +203,6 @@ Authors
`Fang Zhang <https://github.com/fangzh-umich>`__ (University of Michigan) and
`Emiel Koridon <https://github.com/Emieeel>`__ (Leiden University).



How to cite
===========
When using OpenFermion for research projects, please cite:
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9 changes: 4 additions & 5 deletions setup.py
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# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
import io

import os

from setuptools import find_packages, setup
Expand All @@ -19,10 +19,9 @@
exec(open('src/openfermion/_version.py').read())

# Readme file as long_description:
long_description = '===========\n' + 'OpenFermion\n' + '===========\n'
stream = io.open('README.rst', encoding='utf-8')
stream.readline()
long_description += stream.read()
long_description = '===========\n' + 'OpenFermion\n' + '===========\n\n'
with open('README.rst', 'r', encoding='utf-8') as readme:
long_description += readme.read()

# Read in package requirements.txt
requirements = open('dev_tools/requirements/deps/runtime.txt').readlines()
Expand Down

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