Metadata-Version: 2.1
Name: qc-procrustes
Version: 1.0.0a1
Summary: Procrustes Package
Home-page: http://github.com/theochem/procrustes
Author: QC-Devs Community
Author-email: qcdevs@gmail.com
License: GNU (Version 3)
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Environment :: Console
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Operating System :: POSIX :: Linux
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Intended Audience :: Science/Research
Description-Content-Type: text/markdown
License-File: LICENSE

Procrustes
==========

<a href='https://docs.python.org/3.6/'><img src='https://img.shields.io/badge/python-3.6-blue.svg'></a>
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[![GPLv3 License](https://img.shields.io/badge/License-GPL%20v3-yellow.svg)](https://opensource.org/licenses/)
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The Procrustes library provides a set of functions for transforming a matrix to make it
as similar as possible to a target matrix. For more information, visit
[**Procrustes Documentation**](https://procrustes.readthedocs.io/en/latest/).


Citation
--------

Please use the following citation in any publication using Procrustes library:

> **"Procrustes: ", F. Meng, et al.**


Dependencies
------------

The following dependencies are required to run Procrustes properly,

* Python >= 3.6: http://www.python.org/
* NumPy >= 1.18.5: http://www.numpy.org/
* SciPy >= 1.5.0: http://www.scipy.org/
* PyTest >= 5.3.4: https://docs.pytest.org/
* PyTest-Cov >= 2.8.0: https://pypi.org/project/pytest-cov/
* PIP >= 19.0: https://pip.pypa.io/


Installation
------------

To install Procrustes using the conda package management system, install
[miniconda](https://conda.io/miniconda.html) or [anaconda](https://www.anaconda.com/download)
first, and then:

```bash
    # Create and activate myenv conda environment (optional, but recommended)
    conda create -n myenv python=3.6
    conda activate myenv

    # Install the stable release.
    conda install -c theochem procrustes
```

To install Procrustes with pip, you may want to create a
[virtual environment](https://docs.python.org/3/tutorial/venv.html), and then:


```bash
    # Install the stable release.
    pip install qc-procrustes
```

See https://procrustes.readthedocs.io/en/latest/usr_doc_installization.html for full details.


