Fix #1137 and #908: replace README.rst with Markdown version & update content #1143
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| <div align="center"> | ||
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| # OpenFermion | ||
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| Electronic structure package for quantum computers. | ||
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| [](https://www.python.org/downloads/) | ||
| [](https://github.com/quantumlib/OpenFermion/blob/main/LICENSE) | ||
| [](https://pypi.org/project/OpenFermion) | ||
| [](https://img.shields.io/pypi/dm/OpenFermion) | ||
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| [Features](#features) – | ||
| [Installation](#installation) – | ||
| [Plugins](#plugins) – | ||
| [Documentation](#documentation) – | ||
| [Contributing](#contributing-to-openfermion) – | ||
| [Citing](#citing-openfermion) – | ||
| [Authors](#authors) – | ||
| [Contact](#contact) | ||
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| </div> | ||
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| ## Features | ||
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| OpenFermion is an open-source Python package for compiling and analyzing quantum algorithms to | ||
| simulate fermionic systems, including quantum chemistry. Among other features, it includes data | ||
| structures and tools for obtaining and manipulating representations of fermionic and qubit | ||
| Hamiltonians. More information can be found in the [release | ||
| paper](https://arxiv.org/abs/1710.07629). | ||
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| ## Installation | ||
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| 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.) | ||
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| Currently, OpenFermion is tested on Mac, Windows, and Linux. We recommend using Mac or Linux because | ||
| the electronic structure plugins are only compatible on these platforms. However, for those who | ||
| would like to use Windows, or for anyone having other difficulties with installing OpenFermion or | ||
| its plugins, we provide instructions for creating and using a Docker image – see the | ||
| [`docker/`](https://github.com/quantumlib/OpenFermion/tree/master/docker) subdirectory. The Docker | ||
|
There was a problem hiding this comment. Please replace |
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| image provides a virtual environment with OpenFermion and select plugins pre-installed. The Docker | ||
| installation should run on any operating system where Docker can be used. | ||
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| ### User installation | ||
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| To install the latest PyPI release of OpenFermion as a Python package for the current user (which | ||
| avoids modifying system Python packages), run the following command: | ||
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| ```shell | ||
| python -m pip install --user openfermion | ||
| ``` | ||
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| ### Developer installation | ||
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| To install the latest version of OpenFermion in development mode, run the following commands: | ||
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| ```shell | ||
| git clone https://github.com/quantumlib/OpenFermion | ||
| cd OpenFermion | ||
| python -m pip install -e . | ||
| ``` | ||
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| ## Plugins | ||
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| OpenFermion relies on modular plugin packages for significant functionality. Specifically, plugins | ||
| are used to simulate and compile quantum circuits and to perform classical electronic structure | ||
| calculations. Follow the links below to learn more! | ||
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| ### High-performance simulators | ||
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| * [OpenFermion-FQE](https://github.com/quantumlib/OpenFermion-FQE) is 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. | ||
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| ### Circuit compilation plugins | ||
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| * [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). | ||
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| ### Electronic structure package plugins | ||
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| * [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). | ||
| * [OpenFermion-Dirac](https://github.com/bsenjean/Openfermion-Dirac) to support integration with | ||
| [DIRAC](http://diracprogram.org/doku.php). | ||
| * [OpenFermion-QChem](https://github.com/qchemsoftware/OpenFermion-QChem) to support integration | ||
| with [Q-Chem](https://www.q-chem.com). | ||
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| ## Documentation | ||
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| Documentation for OpenFermion can be found at | ||
| [quantumai.google/openfermion](https://quantumai.google/openfermion) and the following links: | ||
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| * [Installation](https://quantumai.google/openfermion/install) | ||
| * [API Docs](https://quantumai.google/reference/python/openfermion/all_symbols) | ||
| * [Tutorials](https://quantumai.google/openfermion/tutorials/intro_to_openfermion) | ||
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| You can run OpenFermion's interactive Jupyter Notebooks, such as the introductory tutorial, in | ||
| [Colab](https://colab.research.google.com/github/quantumlib/OpenFermion/blob/master/examples/intro_to_openfermion.ipynb) | ||
| or | ||
| [MyBinder](https://mybinder.org/v2/gh/quantumlib/OpenFermion/master?filepath=examples%2Fintro_to_openfermion.ipynb). | ||
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| ## Contributing to OpenFermion | ||
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| We'd love to accept your contributions and patches to OpenFermion. There are a few small guidelines | ||
| you need to follow. | ||
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| * Contributions to OpenFermion must be accompanied by a Contributor License Agreement (CLA). You | ||
| (or your employer) retain the copyright to your contribution; the CLA simply gives us permission | ||
| to use and redistribute your contributions as part of the OpenFermion project. Please visit | ||
| https://cla.developers.google.com/ to see your current agreements on file or to sign a new one. | ||
| * All submissions, including submissions by project members, require review. We use GitHub pull | ||
| requests for this purpose. Consult the appropriate [GitHub Help | ||
| documentation](https://help.github.com/articles/about-pull-requests/) for more information on | ||
| using pull requests. | ||
| * 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. | ||
| * Please also make sure to follow the OpenFermion source code style. We mostly follow Python's | ||
| [PEP 8](https://www.python.org/dev/peps/pep-0008/) guidelines and use the corresponding | ||
| [linter](https://pypi.python.org/pypi/pep8) to check for it. | ||
| * Code should always be accompanied by documentation. Formatted OpenFermion documentation is | ||
| generated automatically and can be found [on the Quantum AI web | ||
| site](https://quantumai.google/openfermion). | ||
| * We use [GitHub issues](https://github.com/quantumlib/OpenFermion/issues) for tracking requests | ||
| and bugs. Please post questions to the [Quantum Computing Stack | ||
| Exchange](https://quantumcomputing.stackexchange.com/) with an `openfermion` tag. | ||
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| ## Citing OpenFermion<a name="how-to-cite-openfermion"></a><a name="how-to-cite"></a> | ||
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| When using OpenFermion for research projects, please cite: | ||
|
There was a problem hiding this comment. I think the previous version was more useful, because it had a link to the actual article. The article page has a button to export citation in BibTeX or RIS format. Can you replace the bibtex below with human readable citation (as was before) that has a link to the Journal article? Feel free to shorten the authors list to Jarrod R. McClean et al. |
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| ```bibtex | ||
| @article{McClean_2020, | ||
| author = {Jarrod R. McClean and Nicholas C. Rubin and Kevin J. Sung | ||
| and Ian D. Kivlichan and Xavier Bonet-Monroig and Yudong Cao | ||
| and Chengyu Dai and E. Schuyler Fried and Craig Gidney | ||
| and Brendan Gimby and Pranav Gokhale and Thomas Häner | ||
| and Tarini Hardikar and Vojtěch Havlíček and Oscar Higgott | ||
| and Cupjin Huang and Josh Izaac and Zhang Jiang | ||
| and Xinle Liu and Sam McArdle and Matthew Neeley | ||
| and Thomas O’Brien and Bryan O’Gorman and Isil Ozfidan | ||
| and Maxwell D. Radin and Jhonathan Romero | ||
| and Nicolas P. D. Sawaya and Bruno Senjean and Kanav Setia | ||
| and Sukin Sim and Damian S. Steiger and Mark Steudtner | ||
| and Qiming Sun and Wei Sun and Daochen Wang and Fang Zhang | ||
| and Ryan Babbush}, | ||
| year = 2020, | ||
| month = jun, | ||
| publisher = {IOP Publishing}, | ||
| volume = 5, | ||
| number = 3, | ||
| pages = {034014}, | ||
| title = {{OpenFermion}: The Electronic Structure Package for | ||
| Quantum Computers}, | ||
| journal = {Quantum Science and Technology}, | ||
| } | ||
| ``` | ||
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| We are happy to include future contributors as authors on later releases. | ||
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| ## Authors | ||
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| [Ryan Babbush](https://ryanbabbush.com) (Google), | ||
| [Jarrod McClean](https://jarrodmcclean.com) (Google), | ||
| [Nicholas Rubin](https://github.com/ncrubin) (Google), | ||
| [Kevin Sung](https://github.com/kevinsung) (University of Michigan), | ||
| [Ian Kivlichan](https://aspuru.chem.harvard.edu/ian-kivlichan/) (Harvard), | ||
| [Dave Bacon](https://github.com/dabacon) (Google), | ||
| [Xavier Bonet-Monroig](https://github.com/xabomon) (Leiden University), | ||
| [Yudong Cao](https://github.com/yudongcao) (Harvard), | ||
| [Chengyu Dai](https://github.com/jdaaph) (University of Michigan), | ||
| [E. Schuyler Fried](https://github.com/schuylerfried) (Harvard), | ||
| [Craig Gidney](https://github.com/Strilanc) (Google), | ||
| [Brendan Gimby](https://github.com/bgimby) (University of Michigan), | ||
| [Pranav Gokhale](https://github.com/singular-value) (University of Chicago), | ||
| [Thomas Häner](https://github.com/thomashaener) (ETH Zurich), | ||
| [Tarini Hardikar](https://github.com/TariniHardikar) (Dartmouth), | ||
| [Vojtĕch Havlíček](https://github.com/VojtaHavlicek) (Oxford), | ||
| [Oscar Higgott](https://github.com/oscarhiggott) (University College London), | ||
| [Cupjin Huang](https://github.com/pertoX4726) (University of Michigan), | ||
| [Josh Izaac](https://github.com/josh146) (Xanadu), | ||
| [Zhang Jiang](https://ti.arc.nasa.gov/profile/zjiang3) (NASA), | ||
| [William Kirby](https://williammkirby.com) (Tufts University), | ||
| [Xinle Liu](https://github.com/sheilaliuxl) (Google), | ||
| [Sam McArdle](https://github.com/sammcardle30) (Oxford), | ||
| [Matthew Neeley](https://github.com/maffoo) (Google), | ||
| [Thomas O'Brien](https://github.com/obriente) (Leiden University), | ||
| [Bryan O'Gorman](https://ti.arc.nasa.gov/profile/bogorman) (UC Berkeley, NASA), | ||
| [Isil Ozfidan](https://github.com/conta877) (D-Wave Systems), | ||
| [Max Radin](https://github.com/max-radin) (UC Santa Barbara), | ||
| [Jhonathan Romero](https://github.com/jromerofontalvo) (Harvard), | ||
| [Daniel Sank](https://github.com/DanielSank) (Google), | ||
| [Nicolas Sawaya](https://github.com/nicolassawaya) (Harvard), | ||
| [Bruno Senjean](https://github.com/bsenjean) (Leiden University), | ||
| [Kanav Setia](https://github.com/kanavsetia) (Dartmouth), | ||
| [Hannah Sim](https://github.com/hsim13372) (Harvard), | ||
| [Damian Steiger](https://github.com/damiansteiger) (ETH Zurich), | ||
| [Mark Steudtner](https://github.com/msteudtner) (Leiden University), | ||
| [Qiming Sun](https://github.com/sunqm) (Caltech), | ||
| [Wei Sun](https://github.com/Spaceenter) (Google), | ||
| [Daochen Wang](https://github.com/daochenw) (River Lane Research), | ||
| [Chris Winkler](https://github.com/quid256) (University of Chicago), | ||
| [Fang Zhang](https://github.com/fangzh-umich) (University of Michigan), | ||
| and [Emiel Koridon](https://github.com/Emieeel) (Leiden University). | ||
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| ## Contact | ||
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| For any questions or concerns not addressed here, please email [email protected]. | ||
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| ## Disclaimer | ||
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| This is not an officially-supported Google product. This project is not eligible for the [Google | ||
| Open Source Software Vulnerability Rewards | ||
| Program](https://bughunters.google.com/open-source-security). | ||
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| Copyright 2017 The OpenFermion Developers. | ||
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| <div align="center"> | ||
| <a href="https://quantumai.google"> | ||
| <img width="15%" alt="Google Quantum AI" | ||
| src="https://github.com/raw/quantumlib/OpenFermion/refs/heads/master/docs/images/quantum-ai-vertical.svg"> | ||
| </a> | ||
| </div> | ||
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Nit - would the unicode ndash character
–work here as well?