automatic import of python-pyxtal

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diff --git a/.gitignore b/.gitignore
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--- a/.gitignore
+++ b/.gitignore
@@ -0,0 +1 @@
+/pyxtal-0.5.5.tar.gz
diff --git a/python-pyxtal.spec b/python-pyxtal.spec
new file mode 100644
index 0000000..d592d8c
--- /dev/null
+++ b/python-pyxtal.spec
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+%global _empty_manifest_terminate_build 0
+Name:		python-pyxtal
+Version:	0.5.5
+Release:	1
+Summary:	Python code for generation of crystal structures based on symmetry constraints.
+License:	MIT
+URL:		https://github.com/qzhu2017/PyXtal
+Source0:	https://mirrors.nju.edu.cn/pypi/web/packages/b9/0f/c22a5925963b88bbb2ea7f7969e5446ae7482442ad967e99adad7d45fa26/pyxtal-0.5.5.tar.gz
+BuildArch:	noarch
+
+Requires:	python3-spglib
+Requires:	python3-pymatgen
+Requires:	python3-pandas
+Requires:	python3-networkx
+Requires:	python3-py3Dmol
+Requires:	python3-ase
+Requires:	python3-numba
+Requires:	python3-scipy
+Requires:	python3-importlib-metadata
+Requires:	python3-pyshtools
+
+%description
+<img src="https://raw.githubusercontent.com/qzhu2017/PyXtal/master/images/512px_type1.png" alt="PyXtal" width="300"/>
+
+[![Documentation Status](https://readthedocs.org/projects/pyxtal/badge/?version=latest)](https://pyxtal.readthedocs.io/en/latest/?badge=latest)
+[![Test Status](https://github.com/qzhu2017/PyXtal/workflows/tests/badge.svg)](https://github.com/qzhu2017/PyXtal/actions)
+[![Download Status](https://img.shields.io/pypi/pyversions/pyxtal)](https://pypi.org/project/pyxtal/)
+[![Download Status](https://img.shields.io/pypi/v/pyxtal)](https://pypi.org/project/pyxtal/)
+[![Downloads](https://pepy.tech/badge/pyxtal)](https://pepy.tech/project/pyxtal)
+[![DOI](https://zenodo.org/badge/128165891.svg)](https://zenodo.org/badge/latestdoi/128165891)
+[![Gitter](https://badges.gitter.im/PyXtal/community.svg)](https://gitter.im/PyXtal/community?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge)
+<img align="right" width="450" src="https://raw.githubusercontent.com/qzhu2017/PyXtal/master/images/water.gif">
+
+
+## Table of content
+- [Introduction](#introduction)
+- [Quick Start](#quick-start)
+- [Current Features](#current-features)
+- [Installation](#installation)
+- [Citation](#citation)
+- [How to contribute?](#how-to-contribute)
+
+
+## Introduction
+
+PyXtal is an open source Python package which was initiated by [Qiang Zhu](http://qzhu2017.github.io) and Scott Fredericks at department of Physics and Astronomy, University of Nevada Las Vegas. The goal of PyXtal is to develop a fundamental library to allow one to design the material structure with a certain symmetry constraint. These structures can exported to various structural formats for further study. See the [documentation](https://pyxtal.readthedocs.io/en/latest/) for more information.
+
+To contribute to this project, please check [How to contribute?](#how-to-contribute).
+
+## Quick Start
+
+- [Atomic crystal](https://nbviewer.jupyter.org/github/qzhu2017/PyXtal/blob/master/examples/tutorials_notebook/01_atomic_crystals.ipynb)
+- [Molecular crystal](https://nbviewer.jupyter.org/github/qzhu2017/PyXtal/blob/master/examples/tutorials_notebook/02_molecular_crystals.ipynb)
+- [XRD](https://nbviewer.jupyter.org/github/qzhu2017/PyXtal/blob/master/examples/tutorials_notebook/03_pxrd.ipynb)
+- [Molecular Packing](https://nbviewer.org/github/qzhu2017/PyXtal/blob/master/examples/tutorials_notebook/05-crystal-packing.ipynb)
+
+## Current Features
+
+- Generation of atomic structures for a given symmetry and stoichiometry (0-3D)
+- Generation of molecular crystals (1-3D) with the support of special Wyckoff positions.
+- Structure manipulation via subgroup/supergroup symmetry relation
+- Geometry optimization from built-in and external optimization methods.
+- Internal support of ``cif`` file and many other formats via ``pymatgen`` or ``ASE``.
+- Easy access to symmetry information (e.g., Wyckoff, site symmetry and international symbols).
+- X-ray diffraction analysis and [its online application](https://vxrd.physics.unlv.edu)
+
+## Installation
+
+To install the code, one just needs to do
+
+```sh
+pip install pyxtal
+```
+
+or
+
+```sh
+pip install --upgrade git+https://github.com/qzhu2017/PyXtal.git@master
+```
+
+## Citation
+
+Fredericks S, Parrish K, Sayre D, Zhu Q\*(2020)
+[PyXtal: a Python Library for Crystal Structure Generation and Symmetry Analysis](https://www.sciencedirect.com/science/article/pii/S0010465520304057).
+\[[arXiv link](https://arxiv.org/pdf/1911.11123.pdf)\]
+
+```bib
+@article{pyxtal,
+title = "PyXtal: A Python library for crystal structure generation and symmetry analysis",
+journal = "Computer Physics Communications",
+volume = "261",
+pages = "107810",
+year = "2021",
+issn = "0010-4655",
+doi = "https://doi.org/10.1016/j.cpc.2020.107810",
+url = "http://www.sciencedirect.com/science/article/pii/S0010465520304057",
+author = "Scott Fredericks and Kevin Parrish and Dean Sayre and Qiang Zhu",
+}
+```
+
+## How to contribute?
+
+This is an open-source project. Its growth depends on the community. To contribute to PyXtal, you don't necessarily have to write the code. Any contributions from the following list will be helpful.
+
+- [![Star on GitHub](https://img.shields.io/github/stars/qzhu2017/pyxtal.svg?style=social)](https://github.com/qzhu2017/pyxtal/stargazers)
+ the PyXtal project and recommend it to your colleagues/friends
+- Open an [![GitHub issues](https://img.shields.io/github/issues/qzhu2017/pyxtal.svg)](https://GitHub.com/qzhu2017/pyxtal/issues/) to report the bug or address your wishlist or improve our documentation
+- [![GitHub forks](https://img.shields.io/github/forks/qzhu2017/pyxtal?style=social)](https://github.com/qzhu2017/PyXtal/network/members) the repository and send us the pull request
+
+
+%package -n python3-pyxtal
+Summary:	Python code for generation of crystal structures based on symmetry constraints.
+Provides:	python-pyxtal
+BuildRequires:	python3-devel
+BuildRequires:	python3-setuptools
+BuildRequires:	python3-pip
+%description -n python3-pyxtal
+<img src="https://raw.githubusercontent.com/qzhu2017/PyXtal/master/images/512px_type1.png" alt="PyXtal" width="300"/>
+
+[![Documentation Status](https://readthedocs.org/projects/pyxtal/badge/?version=latest)](https://pyxtal.readthedocs.io/en/latest/?badge=latest)
+[![Test Status](https://github.com/qzhu2017/PyXtal/workflows/tests/badge.svg)](https://github.com/qzhu2017/PyXtal/actions)
+[![Download Status](https://img.shields.io/pypi/pyversions/pyxtal)](https://pypi.org/project/pyxtal/)
+[![Download Status](https://img.shields.io/pypi/v/pyxtal)](https://pypi.org/project/pyxtal/)
+[![Downloads](https://pepy.tech/badge/pyxtal)](https://pepy.tech/project/pyxtal)
+[![DOI](https://zenodo.org/badge/128165891.svg)](https://zenodo.org/badge/latestdoi/128165891)
+[![Gitter](https://badges.gitter.im/PyXtal/community.svg)](https://gitter.im/PyXtal/community?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge)
+<img align="right" width="450" src="https://raw.githubusercontent.com/qzhu2017/PyXtal/master/images/water.gif">
+
+
+## Table of content
+- [Introduction](#introduction)
+- [Quick Start](#quick-start)
+- [Current Features](#current-features)
+- [Installation](#installation)
+- [Citation](#citation)
+- [How to contribute?](#how-to-contribute)
+
+
+## Introduction
+
+PyXtal is an open source Python package which was initiated by [Qiang Zhu](http://qzhu2017.github.io) and Scott Fredericks at department of Physics and Astronomy, University of Nevada Las Vegas. The goal of PyXtal is to develop a fundamental library to allow one to design the material structure with a certain symmetry constraint. These structures can exported to various structural formats for further study. See the [documentation](https://pyxtal.readthedocs.io/en/latest/) for more information.
+
+To contribute to this project, please check [How to contribute?](#how-to-contribute).
+
+## Quick Start
+
+- [Atomic crystal](https://nbviewer.jupyter.org/github/qzhu2017/PyXtal/blob/master/examples/tutorials_notebook/01_atomic_crystals.ipynb)
+- [Molecular crystal](https://nbviewer.jupyter.org/github/qzhu2017/PyXtal/blob/master/examples/tutorials_notebook/02_molecular_crystals.ipynb)
+- [XRD](https://nbviewer.jupyter.org/github/qzhu2017/PyXtal/blob/master/examples/tutorials_notebook/03_pxrd.ipynb)
+- [Molecular Packing](https://nbviewer.org/github/qzhu2017/PyXtal/blob/master/examples/tutorials_notebook/05-crystal-packing.ipynb)
+
+## Current Features
+
+- Generation of atomic structures for a given symmetry and stoichiometry (0-3D)
+- Generation of molecular crystals (1-3D) with the support of special Wyckoff positions.
+- Structure manipulation via subgroup/supergroup symmetry relation
+- Geometry optimization from built-in and external optimization methods.
+- Internal support of ``cif`` file and many other formats via ``pymatgen`` or ``ASE``.
+- Easy access to symmetry information (e.g., Wyckoff, site symmetry and international symbols).
+- X-ray diffraction analysis and [its online application](https://vxrd.physics.unlv.edu)
+
+## Installation
+
+To install the code, one just needs to do
+
+```sh
+pip install pyxtal
+```
+
+or
+
+```sh
+pip install --upgrade git+https://github.com/qzhu2017/PyXtal.git@master
+```
+
+## Citation
+
+Fredericks S, Parrish K, Sayre D, Zhu Q\*(2020)
+[PyXtal: a Python Library for Crystal Structure Generation and Symmetry Analysis](https://www.sciencedirect.com/science/article/pii/S0010465520304057).
+\[[arXiv link](https://arxiv.org/pdf/1911.11123.pdf)\]
+
+```bib
+@article{pyxtal,
+title = "PyXtal: A Python library for crystal structure generation and symmetry analysis",
+journal = "Computer Physics Communications",
+volume = "261",
+pages = "107810",
+year = "2021",
+issn = "0010-4655",
+doi = "https://doi.org/10.1016/j.cpc.2020.107810",
+url = "http://www.sciencedirect.com/science/article/pii/S0010465520304057",
+author = "Scott Fredericks and Kevin Parrish and Dean Sayre and Qiang Zhu",
+}
+```
+
+## How to contribute?
+
+This is an open-source project. Its growth depends on the community. To contribute to PyXtal, you don't necessarily have to write the code. Any contributions from the following list will be helpful.
+
+- [![Star on GitHub](https://img.shields.io/github/stars/qzhu2017/pyxtal.svg?style=social)](https://github.com/qzhu2017/pyxtal/stargazers)
+ the PyXtal project and recommend it to your colleagues/friends
+- Open an [![GitHub issues](https://img.shields.io/github/issues/qzhu2017/pyxtal.svg)](https://GitHub.com/qzhu2017/pyxtal/issues/) to report the bug or address your wishlist or improve our documentation
+- [![GitHub forks](https://img.shields.io/github/forks/qzhu2017/pyxtal?style=social)](https://github.com/qzhu2017/PyXtal/network/members) the repository and send us the pull request
+
+
+%package help
+Summary:	Development documents and examples for pyxtal
+Provides:	python3-pyxtal-doc
+%description help
+<img src="https://raw.githubusercontent.com/qzhu2017/PyXtal/master/images/512px_type1.png" alt="PyXtal" width="300"/>
+
+[![Documentation Status](https://readthedocs.org/projects/pyxtal/badge/?version=latest)](https://pyxtal.readthedocs.io/en/latest/?badge=latest)
+[![Test Status](https://github.com/qzhu2017/PyXtal/workflows/tests/badge.svg)](https://github.com/qzhu2017/PyXtal/actions)
+[![Download Status](https://img.shields.io/pypi/pyversions/pyxtal)](https://pypi.org/project/pyxtal/)
+[![Download Status](https://img.shields.io/pypi/v/pyxtal)](https://pypi.org/project/pyxtal/)
+[![Downloads](https://pepy.tech/badge/pyxtal)](https://pepy.tech/project/pyxtal)
+[![DOI](https://zenodo.org/badge/128165891.svg)](https://zenodo.org/badge/latestdoi/128165891)
+[![Gitter](https://badges.gitter.im/PyXtal/community.svg)](https://gitter.im/PyXtal/community?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge)
+<img align="right" width="450" src="https://raw.githubusercontent.com/qzhu2017/PyXtal/master/images/water.gif">
+
+
+## Table of content
+- [Introduction](#introduction)
+- [Quick Start](#quick-start)
+- [Current Features](#current-features)
+- [Installation](#installation)
+- [Citation](#citation)
+- [How to contribute?](#how-to-contribute)
+
+
+## Introduction
+
+PyXtal is an open source Python package which was initiated by [Qiang Zhu](http://qzhu2017.github.io) and Scott Fredericks at department of Physics and Astronomy, University of Nevada Las Vegas. The goal of PyXtal is to develop a fundamental library to allow one to design the material structure with a certain symmetry constraint. These structures can exported to various structural formats for further study. See the [documentation](https://pyxtal.readthedocs.io/en/latest/) for more information.
+
+To contribute to this project, please check [How to contribute?](#how-to-contribute).
+
+## Quick Start
+
+- [Atomic crystal](https://nbviewer.jupyter.org/github/qzhu2017/PyXtal/blob/master/examples/tutorials_notebook/01_atomic_crystals.ipynb)
+- [Molecular crystal](https://nbviewer.jupyter.org/github/qzhu2017/PyXtal/blob/master/examples/tutorials_notebook/02_molecular_crystals.ipynb)
+- [XRD](https://nbviewer.jupyter.org/github/qzhu2017/PyXtal/blob/master/examples/tutorials_notebook/03_pxrd.ipynb)
+- [Molecular Packing](https://nbviewer.org/github/qzhu2017/PyXtal/blob/master/examples/tutorials_notebook/05-crystal-packing.ipynb)
+
+## Current Features
+
+- Generation of atomic structures for a given symmetry and stoichiometry (0-3D)
+- Generation of molecular crystals (1-3D) with the support of special Wyckoff positions.
+- Structure manipulation via subgroup/supergroup symmetry relation
+- Geometry optimization from built-in and external optimization methods.
+- Internal support of ``cif`` file and many other formats via ``pymatgen`` or ``ASE``.
+- Easy access to symmetry information (e.g., Wyckoff, site symmetry and international symbols).
+- X-ray diffraction analysis and [its online application](https://vxrd.physics.unlv.edu)
+
+## Installation
+
+To install the code, one just needs to do
+
+```sh
+pip install pyxtal
+```
+
+or
+
+```sh
+pip install --upgrade git+https://github.com/qzhu2017/PyXtal.git@master
+```
+
+## Citation
+
+Fredericks S, Parrish K, Sayre D, Zhu Q\*(2020)
+[PyXtal: a Python Library for Crystal Structure Generation and Symmetry Analysis](https://www.sciencedirect.com/science/article/pii/S0010465520304057).
+\[[arXiv link](https://arxiv.org/pdf/1911.11123.pdf)\]
+
+```bib
+@article{pyxtal,
+title = "PyXtal: A Python library for crystal structure generation and symmetry analysis",
+journal = "Computer Physics Communications",
+volume = "261",
+pages = "107810",
+year = "2021",
+issn = "0010-4655",
+doi = "https://doi.org/10.1016/j.cpc.2020.107810",
+url = "http://www.sciencedirect.com/science/article/pii/S0010465520304057",
+author = "Scott Fredericks and Kevin Parrish and Dean Sayre and Qiang Zhu",
+}
+```
+
+## How to contribute?
+
+This is an open-source project. Its growth depends on the community. To contribute to PyXtal, you don't necessarily have to write the code. Any contributions from the following list will be helpful.
+
+- [![Star on GitHub](https://img.shields.io/github/stars/qzhu2017/pyxtal.svg?style=social)](https://github.com/qzhu2017/pyxtal/stargazers)
+ the PyXtal project and recommend it to your colleagues/friends
+- Open an [![GitHub issues](https://img.shields.io/github/issues/qzhu2017/pyxtal.svg)](https://GitHub.com/qzhu2017/pyxtal/issues/) to report the bug or address your wishlist or improve our documentation
+- [![GitHub forks](https://img.shields.io/github/forks/qzhu2017/pyxtal?style=social)](https://github.com/qzhu2017/PyXtal/network/members) the repository and send us the pull request
+
+
+%prep
+%autosetup -n pyxtal-0.5.5
+
+%build
+%py3_build
+
+%install
+%py3_install
+install -d -m755 %{buildroot}/%{_pkgdocdir}
+if [ -d doc ]; then cp -arf doc %{buildroot}/%{_pkgdocdir}; fi
+if [ -d docs ]; then cp -arf docs %{buildroot}/%{_pkgdocdir}; fi
+if [ -d example ]; then cp -arf example %{buildroot}/%{_pkgdocdir}; fi
+if [ -d examples ]; then cp -arf examples %{buildroot}/%{_pkgdocdir}; fi
+pushd %{buildroot}
+if [ -d usr/lib ]; then
+	find usr/lib -type f -printf "/%h/%f\n" >> filelist.lst
+fi
+if [ -d usr/lib64 ]; then
+	find usr/lib64 -type f -printf "/%h/%f\n" >> filelist.lst
+fi
+if [ -d usr/bin ]; then
+	find usr/bin -type f -printf "/%h/%f\n" >> filelist.lst
+fi
+if [ -d usr/sbin ]; then
+	find usr/sbin -type f -printf "/%h/%f\n" >> filelist.lst
+fi
+touch doclist.lst
+if [ -d usr/share/man ]; then
+	find usr/share/man -type f -printf "/%h/%f.gz\n" >> doclist.lst
+fi
+popd
+mv %{buildroot}/filelist.lst .
+mv %{buildroot}/doclist.lst .
+
+%files -n python3-pyxtal -f filelist.lst
+%dir %{python3_sitelib}/*
+
+%files help -f doclist.lst
+%{_docdir}/*
+
+%changelog
+* Thu May 18 2023 Python_Bot <Python_Bot@openeuler.org> - 0.5.5-1
+- Package Spec generated
diff --git a/sources b/sources
new file mode 100644
index 0000000..d65d27c
--- /dev/null
+++ b/sources
@@ -0,0 +1 @@
+dc0e1374cc3b406c92add7c4bf800f11  pyxtal-0.5.5.tar.gz