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@@ -0,0 +1 @@ +/pylj-1.4.1.tar.gz diff --git a/python-pylj.spec b/python-pylj.spec new file mode 100644 index 0000000..b00ab9d --- /dev/null +++ b/python-pylj.spec @@ -0,0 +1,386 @@ +%global _empty_manifest_terminate_build 0 +Name: python-pylj +Version: 1.4.1 +Release: 1 +Summary: Simple teaching tool for classical MD simulation +License: MIT +URL: https://pypi.org/project/pylj/ +Source0: https://mirrors.nju.edu.cn/pypi/web/packages/4c/8f/c7ffefc271286685c04bb3faf8872f4636955c5de5bdcb66cb90bbe1a86f/pylj-1.4.1.tar.gz +BuildArch: noarch + +Requires: python3-jupyter +Requires: python3-numpy +Requires: python3-matplotlib +Requires: python3-cython +Requires: python3-numba + +%description +<a href="http://pythoninchemistry.org/pylj"><img src="https://github.com/arm61/pylj/blob/master/logo/logo.png?raw=true" width= "60%"/></a> + +## Visit the [pylj](http://pythoninchemistry.org/pylj) webpage for more information about pylj. + +To build from source: + +```python + +pip install -r requirements.txt + +python setup.py build + +python setup.py install + +python setup.py test + +``` +Check out our publication in the [Journal of Open Source Education](http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d) to find out more about pylj. + +Be aware! pylj runs within a [Jupyter notebook](http://jupyter.org/), and therefore requires this to run. We advise installing [anaconda python](https://anaconda.org/) as this includes many required libraries as well as the Jupyter notebooks framework. + +If you need any help using pylj contact arm61 in the [pylj/HELP gitter chatroom](https://gitter.im/pylj/HELP). + +Check out some [examples](https://github.com/arm61/pylj/tree/master/examples) of how pylj can be used in undergraduate teaching exercises. + +## Badges + +<table> + <tr> + <td>JOSE DOI</td> + <td> + <a href="http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d"> + <img src="http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d/status.svg" alt="status" /> + </a> + </td> + </tr> + <tr> + <td>Latest Release</td> + <td> + <a href="https://badge.fury.io/py/pylj"> + <img src="https://badge.fury.io/py/pylj.svg" alt="PyPi version" /> + </a> + </td> + </tr> + <tr> + <td></td> + <td> + <a href="https://zenodo.org/badge/latestdoi/119863480"> + <img src="https://zenodo.org/badge/119863480.svg" alt="DOI" /> + </a> + </td> + </tr> + <tr> + <td>Documentation</td> + <td> + <a href="http://pylj.readthedocs.io/en/latest/?badge=latest"> + <img src="https://readthedocs.org/projects/pylj/badge/?version=latest" alt="Documentation Status" /> + </a> + </td> + </tr> + <tr> + <td>License</td> + <td> + <a href="https://opensource.org/licenses/MIT"> + <img src="https://img.shields.io/badge/License-MIT-yellow.svg" alt="License MIT" /> + </a> + </td> + </tr> + <tr> + <td>Build Status</td> + <td> + <a href="https://travis-ci.org/arm61/pylj"> + <img src="https://travis-ci.org/arm61/pylj.svg?branch=master" alt="Build Status" /> + </a> + </td> + </tr> + <tr> + <td></td> + <td> + <a href="https://ci.appveyor.com/project/arm61/pylj"> + <img src="https://ci.appveyor.com/api/projects/status/ihtobykv8wdo6sh6?svg=true" alt="Build Status" /> + </a> + </td> + </tr> + <tr> + <td>Coverage Status</td> + <td> + <a href="https://coveralls.io/github/arm61/pylj?branch=master"> + <img src="https://coveralls.io/repos/github/arm61/pylj/badge.svg?branch=master" alt="Coverage Status" /> + </a> + </td> + </tr> + <tr> + <td>Gitter</td> + <td> + <a href="https://gitter.im/pylj/Lobby#"> + <img src="https://badges.gitter.im/gitterHQ/gitter.png" alt="Gitter chat" /> + </a> + </td> + </tr> +</table> + + + + +%package -n python3-pylj +Summary: Simple teaching tool for classical MD simulation +Provides: python-pylj +BuildRequires: python3-devel +BuildRequires: python3-setuptools +BuildRequires: python3-pip +%description -n python3-pylj +<a href="http://pythoninchemistry.org/pylj"><img src="https://github.com/arm61/pylj/blob/master/logo/logo.png?raw=true" width= "60%"/></a> + +## Visit the [pylj](http://pythoninchemistry.org/pylj) webpage for more information about pylj. + +To build from source: + +```python + +pip install -r requirements.txt + +python setup.py build + +python setup.py install + +python setup.py test + +``` +Check out our publication in the [Journal of Open Source Education](http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d) to find out more about pylj. + +Be aware! pylj runs within a [Jupyter notebook](http://jupyter.org/), and therefore requires this to run. We advise installing [anaconda python](https://anaconda.org/) as this includes many required libraries as well as the Jupyter notebooks framework. + +If you need any help using pylj contact arm61 in the [pylj/HELP gitter chatroom](https://gitter.im/pylj/HELP). + +Check out some [examples](https://github.com/arm61/pylj/tree/master/examples) of how pylj can be used in undergraduate teaching exercises. + +## Badges + +<table> + <tr> + <td>JOSE DOI</td> + <td> + <a href="http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d"> + <img src="http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d/status.svg" alt="status" /> + </a> + </td> + </tr> + <tr> + <td>Latest Release</td> + <td> + <a href="https://badge.fury.io/py/pylj"> + <img src="https://badge.fury.io/py/pylj.svg" alt="PyPi version" /> + </a> + </td> + </tr> + <tr> + <td></td> + <td> + <a href="https://zenodo.org/badge/latestdoi/119863480"> + <img src="https://zenodo.org/badge/119863480.svg" alt="DOI" /> + </a> + </td> + </tr> + <tr> + <td>Documentation</td> + <td> + <a href="http://pylj.readthedocs.io/en/latest/?badge=latest"> + <img src="https://readthedocs.org/projects/pylj/badge/?version=latest" alt="Documentation Status" /> + </a> + </td> + </tr> + <tr> + <td>License</td> + <td> + <a href="https://opensource.org/licenses/MIT"> + <img src="https://img.shields.io/badge/License-MIT-yellow.svg" alt="License MIT" /> + </a> + </td> + </tr> + <tr> + <td>Build Status</td> + <td> + <a href="https://travis-ci.org/arm61/pylj"> + <img src="https://travis-ci.org/arm61/pylj.svg?branch=master" alt="Build Status" /> + </a> + </td> + </tr> + <tr> + <td></td> + <td> + <a href="https://ci.appveyor.com/project/arm61/pylj"> + <img src="https://ci.appveyor.com/api/projects/status/ihtobykv8wdo6sh6?svg=true" alt="Build Status" /> + </a> + </td> + </tr> + <tr> + <td>Coverage Status</td> + <td> + <a href="https://coveralls.io/github/arm61/pylj?branch=master"> + <img src="https://coveralls.io/repos/github/arm61/pylj/badge.svg?branch=master" alt="Coverage Status" /> + </a> + </td> + </tr> + <tr> + <td>Gitter</td> + <td> + <a href="https://gitter.im/pylj/Lobby#"> + <img src="https://badges.gitter.im/gitterHQ/gitter.png" alt="Gitter chat" /> + </a> + </td> + </tr> +</table> + + + + +%package help +Summary: Development documents and examples for pylj +Provides: python3-pylj-doc +%description help +<a href="http://pythoninchemistry.org/pylj"><img src="https://github.com/arm61/pylj/blob/master/logo/logo.png?raw=true" width= "60%"/></a> + +## Visit the [pylj](http://pythoninchemistry.org/pylj) webpage for more information about pylj. + +To build from source: + +```python + +pip install -r requirements.txt + +python setup.py build + +python setup.py install + +python setup.py test + +``` +Check out our publication in the [Journal of Open Source Education](http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d) to find out more about pylj. + +Be aware! pylj runs within a [Jupyter notebook](http://jupyter.org/), and therefore requires this to run. We advise installing [anaconda python](https://anaconda.org/) as this includes many required libraries as well as the Jupyter notebooks framework. + +If you need any help using pylj contact arm61 in the [pylj/HELP gitter chatroom](https://gitter.im/pylj/HELP). + +Check out some [examples](https://github.com/arm61/pylj/tree/master/examples) of how pylj can be used in undergraduate teaching exercises. + +## Badges + +<table> + <tr> + <td>JOSE DOI</td> + <td> + <a href="http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d"> + <img src="http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d/status.svg" alt="status" /> + </a> + </td> + </tr> + <tr> + <td>Latest Release</td> + <td> + <a href="https://badge.fury.io/py/pylj"> + <img src="https://badge.fury.io/py/pylj.svg" alt="PyPi version" /> + </a> + </td> + </tr> + <tr> + <td></td> + <td> + <a href="https://zenodo.org/badge/latestdoi/119863480"> + <img src="https://zenodo.org/badge/119863480.svg" alt="DOI" /> + </a> + </td> + </tr> + <tr> + <td>Documentation</td> + <td> + <a href="http://pylj.readthedocs.io/en/latest/?badge=latest"> + <img src="https://readthedocs.org/projects/pylj/badge/?version=latest" alt="Documentation Status" /> + </a> + </td> + </tr> + <tr> + <td>License</td> + <td> + <a href="https://opensource.org/licenses/MIT"> + <img src="https://img.shields.io/badge/License-MIT-yellow.svg" alt="License MIT" /> + </a> + </td> + </tr> + <tr> + <td>Build Status</td> + <td> + <a href="https://travis-ci.org/arm61/pylj"> + <img src="https://travis-ci.org/arm61/pylj.svg?branch=master" alt="Build Status" /> + </a> + </td> + </tr> + <tr> + <td></td> + <td> + <a href="https://ci.appveyor.com/project/arm61/pylj"> + <img src="https://ci.appveyor.com/api/projects/status/ihtobykv8wdo6sh6?svg=true" alt="Build Status" /> + </a> + </td> + </tr> + <tr> + <td>Coverage Status</td> + <td> + <a href="https://coveralls.io/github/arm61/pylj?branch=master"> + <img src="https://coveralls.io/repos/github/arm61/pylj/badge.svg?branch=master" alt="Coverage Status" /> + </a> + </td> + </tr> + <tr> + <td>Gitter</td> + <td> + <a href="https://gitter.im/pylj/Lobby#"> + <img src="https://badges.gitter.im/gitterHQ/gitter.png" alt="Gitter chat" /> + </a> + </td> + </tr> +</table> + + + + +%prep +%autosetup -n pylj-1.4.1 + +%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-pylj -f filelist.lst +%dir %{python3_sitelib}/* + +%files help -f doclist.lst +%{_docdir}/* + +%changelog +* Mon May 29 2023 Python_Bot <Python_Bot@openeuler.org> - 1.4.1-1 +- Package Spec generated @@ -0,0 +1 @@ +b25075124a720a1c4eea6fea859c8979 pylj-1.4.1.tar.gz |