%global _empty_manifest_terminate_build 0 Name: python-atomate Version: 1.0.3 Release: 1 Summary: atomate has implementations of FireWorks workflows for Materials Science License: modified BSD URL: https://github.com/hackingmaterials/atomate Source0: https://mirrors.nju.edu.cn/pypi/web/packages/97/1a/30242bbf8944fc1df7ddfe3ecd7bdae993e457dfe21d29912002442eb249/atomate-1.0.3.tar.gz BuildArch: noarch %description # atomate [![Tests](https://github.com/hackingmaterials/atomate/actions/workflows/test.yml/badge.svg)](https://github.com/hackingmaterials/atomate/actions/workflows/test.yml) [![PyPI Downloads](https://img.shields.io/pypi/dm/atomate?label=PyPI%20Downloads)](https://pypi.org/project/atomate) [![PyPI](https://img.shields.io/pypi/v/atomate?label=PyPI%20Release)](https://pypi.org/project/atomate) [![Requires Python 3.8+](https://img.shields.io/badge/Python-3.8+-blue.svg?label=Requires%20Python)](https://python.org/downloads) atomate is a software for computational materials science that contains pre-built workflows to compute and analyze the properties of materials. - **Website (including documentation):** https://hackingmaterials.github.io/atomate/ - **Help/Support:** https://discuss.matsci.org/c/atomate - **Source:** https://github.com/hackingmaterials/atomate If you find atomate useful, please encourage its development by citing the following paper in your research output: ```txt Mathew, K., Montoya, J. H., Faghaninia, A., Dwarakanath, S., Aykol, M., Tang, H., Chu, I., Smidt, T., Bocklund, B., Horton, M., Dagdelen, J., Wood, B., Liu, Z.-K., Neaton, J., Ong, S. P., Persson, K., Jain, A., Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows. Comput. Mater. Sci. 139, 140-152 (2017). ``` %package -n python3-atomate Summary: atomate has implementations of FireWorks workflows for Materials Science Provides: python-atomate BuildRequires: python3-devel BuildRequires: python3-setuptools BuildRequires: python3-pip %description -n python3-atomate # atomate [![Tests](https://github.com/hackingmaterials/atomate/actions/workflows/test.yml/badge.svg)](https://github.com/hackingmaterials/atomate/actions/workflows/test.yml) [![PyPI Downloads](https://img.shields.io/pypi/dm/atomate?label=PyPI%20Downloads)](https://pypi.org/project/atomate) [![PyPI](https://img.shields.io/pypi/v/atomate?label=PyPI%20Release)](https://pypi.org/project/atomate) [![Requires Python 3.8+](https://img.shields.io/badge/Python-3.8+-blue.svg?label=Requires%20Python)](https://python.org/downloads) atomate is a software for computational materials science that contains pre-built workflows to compute and analyze the properties of materials. - **Website (including documentation):** https://hackingmaterials.github.io/atomate/ - **Help/Support:** https://discuss.matsci.org/c/atomate - **Source:** https://github.com/hackingmaterials/atomate If you find atomate useful, please encourage its development by citing the following paper in your research output: ```txt Mathew, K., Montoya, J. H., Faghaninia, A., Dwarakanath, S., Aykol, M., Tang, H., Chu, I., Smidt, T., Bocklund, B., Horton, M., Dagdelen, J., Wood, B., Liu, Z.-K., Neaton, J., Ong, S. P., Persson, K., Jain, A., Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows. Comput. Mater. Sci. 139, 140-152 (2017). ``` %package help Summary: Development documents and examples for atomate Provides: python3-atomate-doc %description help # atomate [![Tests](https://github.com/hackingmaterials/atomate/actions/workflows/test.yml/badge.svg)](https://github.com/hackingmaterials/atomate/actions/workflows/test.yml) [![PyPI Downloads](https://img.shields.io/pypi/dm/atomate?label=PyPI%20Downloads)](https://pypi.org/project/atomate) [![PyPI](https://img.shields.io/pypi/v/atomate?label=PyPI%20Release)](https://pypi.org/project/atomate) [![Requires Python 3.8+](https://img.shields.io/badge/Python-3.8+-blue.svg?label=Requires%20Python)](https://python.org/downloads) atomate is a software for computational materials science that contains pre-built workflows to compute and analyze the properties of materials. - **Website (including documentation):** https://hackingmaterials.github.io/atomate/ - **Help/Support:** https://discuss.matsci.org/c/atomate - **Source:** https://github.com/hackingmaterials/atomate If you find atomate useful, please encourage its development by citing the following paper in your research output: ```txt Mathew, K., Montoya, J. H., Faghaninia, A., Dwarakanath, S., Aykol, M., Tang, H., Chu, I., Smidt, T., Bocklund, B., Horton, M., Dagdelen, J., Wood, B., Liu, Z.-K., Neaton, J., Ong, S. P., Persson, K., Jain, A., Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows. Comput. Mater. Sci. 139, 140-152 (2017). ``` %prep %autosetup -n atomate-1.0.3 %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-atomate -f filelist.lst %dir %{python3_sitelib}/* %files help -f doclist.lst %{_docdir}/* %changelog * Tue May 30 2023 Python_Bot - 1.0.3-1 - Package Spec generated