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Python bindings for libcommute

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![pycommute logo](https://raw.githubusercontent.com/krivenko/pycommute/master/docs/images/logo.svg)

[![Package on PyPI](https://img.shields.io/pypi/v/pycommute.svg)](https://pypi.org/project/pycommute)
[![Package on Anaconda.org](https://anaconda.org/krivenko/pycommute/badges/version.svg)](https://anaconda.org/channels/krivenko/packages/pycommute/overview)
[![Build and test](https://github.com/krivenko/pycommute/actions/workflows/build-and-test.yml/badge.svg)](https://github.com/krivenko/pycommute/actions/workflows/build-and-test.yml)
[![Documentation](https://img.shields.io/badge/docs-GitHub%20Pages-red)](https://krivenko.github.io/pycommute)

*pycommute* is a Python package providing bindings for the
[libcommute](https://github.com/krivenko/libcommute) quantum operator algebra
library.

You can find a few
[usage examples](https://krivenko.github.io/pycommute/examples.html) and an
[API reference](https://krivenko.github.io/pycommute/reference.html) at
*pycommute*'s [documentation website](https://krivenko.github.io/pycommute/).

Automated installation of the PyPI package
------------------------------------------

```
$ pip install pycommute
```

Automated installation of the conda package
-------------------------------------------

```
$ conda install krivenko::pycommute
```

Installation from sources
-------------------------

* [Download](https://github.com/krivenko/libcommute/releases) source code of
  *libcommute* 1.0.0 or newer and optionally
  [install](https://krivenko.github.io/libcommute/installation.html) it.

* Install Python prerequisites:

- [packaging >= 17.0](https://pypi.org/project/packaging/)
  - [pybind11 >= 3.0.0](https://pypi.org/project/pybind11/)
  - [numpy >= 1.12.0](https://pypi.org/project/numpy/)

* Run the following command in the unpacked source archive of *pycommute*,

```
LIBCOMMUTE_INCLUDEDIR="<path_to_libcommute>/include" pip install .
```

``<path_to_libcommute>`` must be either installation or source directory of
*libcommute*.

Docker images
-------------

Docker images of tagged releases of *pycommute* are available from
[Docker Hub](https://hub.docker.com/repository/docker/ikrivenko/pycommute).

```
$ docker run --rm -p 8888:8888 ikrivenko/pycommute:latest
```

This command will pull the most recent image and launch a
[Jupyter](https://jupyter.org/) notebook server accessible at
[http://127.0.0.1:8888/](http://127.0.0.1:8888/). The server is run in a
directory with a few interactive example notebooks.

Citing
------

If you find this package useful for your research, you can help me by citing it
using the following BibTeX entry.

```
@article{pycommute,
    title = {{libcommute/pycommute: A quantum operator algebra domain-specific
              language and exact diagonalization toolkit}},
    author = {Igor Krivenko},
    journal = {SoftwareX},
    volume = {17},
    pages = {100937},
    year = {2022},
    issn = {2352-7110},
    doi = {10.1016/j.softx.2021.100937}
}
```

License
-------

This Source Code Form is subject to the terms of the Mozilla Public
License, v. 2.0. If a copy of the MPL was not distributed with this
file, You can obtain one at http://mozilla.org/MPL/2.0/.

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