%global _empty_manifest_terminate_build 0 Name: python-AaronTools Version: 1.0b18 Release: 1 Summary: Tools for measuring and manipulating molecular structures License: GNU General Public License v3 (GPLv3) URL: https://github.com/QChASM/AaronTools.py Source0: https://mirrors.nju.edu.cn/pypi/web/packages/91/fb/099fc930d9aac8ddf437fe5752bc0b6e73cb4d71ac192a3b859d0610d50a/AaronTools-1.0b18.tar.gz BuildArch: noarch Requires: python3-numpy Requires: python3-scipy Requires: python3-pdfminer Requires: python3-jinja2 Requires: python3-matplotlib %description

# AaronTools.py AaronTools provides a collection of tools for automating routine tasks encountered when running quantum chemistry computations. These tools can be used either directly within a Python script using AaronTools objects, or via a series of command-line scripts. See the Wiki for installation and usage. AaronTools is described in "QChASM: Quantum Chemistry Automation and Structure Manipulation" WIREs Comp. Mol. Sci. 11, e1510 (2021). A Perl implementation of AaronTools is also available here. However, users are strongly urged to use the Python version since it has far more powerful features and, unlike the Perl version, will continue to be developed and supported. ## Citation If you use the Python AaronTools, please cite: V. M. Ingman, A. J. Schaefer, L. R. Andreola, and S. E. Wheeler "QChASM: Quantum Chemistry Automation and Structure Manipulation" WIREs Comp. Mol. Sci. 11, e1510 (2021) ## Contact If you have any questions or would like to discuss bugs or additional needed features, feel free to contact us at qchasm@uga.edu %prep %autosetup -n AaronTools-1.0b18 %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-AaronTools -f filelist.lst %dir %{python3_sitelib}/* %files help -f doclist.lst %{_docdir}/* %changelog * Fri May 05 2023 Python_Bot - 1.0b18-1 - Package Spec generated