%global pname cclib %global middle_release 1 %if 0%{?middle_release} %global commit 8e6892a562b7916a465a808e2fce43ca7688592b %global date .20220618git %global shortcommit %(c=%{commit}; echo ${c:0:8}) %else %global commit %{nil} %global date %{nil} %global shortcommit %{nil} %endif %bcond_without check %global _description %{expand: cclib is a Python library that provides parsers for output files of computational chemistry packages. It also provides a platform for computational chemists to implement algorithms in a platform-independent way. The goals of cclib are centered around the reuse of data obtained from these programs and contained in output files, specifically: - extract (parse) data from the output files generated by multiple programs - provide a consistent interface to the results of computational chemistry calculations, particularly those results that are useful for algorithms or visualization - facilitate the implementation of algorithms that are not specific to a particular computational chemistry package - to maximize interoperability with other open source computational chemistry and cheminformatic software libraries} Name: python-%{pname} Version: 1.7.1 Release: 6%{date}%{shortcommit}%{?dist} Summary: Parsers for output files of computational chemistry packages License: BSD and LGPLv2+ URL: https://cclib.github.io/ %if 0%{?middle_release} Source0: https://github.com/%{pname}/%{pname}/archive/%{commit}/%{pname}-%{commit}.tar.gz %else Source0: https://github.com/%{pname}/%{pname}/archive/v%{version}/%{pname}-%{version}.tar.gz %endif BuildArch: noarch %description %{_description}. %package -n python%{python3_pkgversion}-%{pname} Summary: Parsers for output files of computational chemistry packages BuildRequires: python%{python3_pkgversion}-devel BuildRequires: python%{python3_pkgversion}-numpy BuildRequires: python%{python3_pkgversion}-six BuildRequires: python%{python3_pkgversion}-scipy BuildRequires: python%{python3_pkgversion}-periodictable BuildRequires: python%{python3_pkgversion}-biopython BuildRequires: python%{python3_pkgversion}-packaging BuildRequires: python%{python3_pkgversion}-setuptools %description -n python%{python3_pkgversion}-%{pname} %{_description}. %prep %autosetup -n %{pname}-%{commit} rm -rf cclib.egg-info %build %py3_build %install %py3_install # Remove shebangs for lib in %{buildroot}%{python3_sitelib}/cclib/scripts/*.py; do sed '1{\@^#!/usr/bin/env python@d}' $lib > $lib.new && touch -r $lib $lib.new && mv $lib.new $lib done %if %{with check} %check PYTHONPATH=%{buildroot}%{python3_sitelib} %{__python3} -m test.test_data %endif %files -n python%{python3_pkgversion}-%{pname} %license LICENSE %doc CHANGELOG ANNOUNCE THANKS %{python3_sitelib}/*egg-info/ %{python3_sitelib}/%{pname}/ %{_bindir}/ccframe %{_bindir}/ccget %{_bindir}/ccwrite %{_bindir}/cda %changelog * Mon Jan 22 2024 Fedora Release Engineering - 1.7.1-6.20220618git8e6892a5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Fri Jul 21 2023 Fedora Release Engineering - 1.7.1-5.20220618git8e6892a5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Sat Jul 01 2023 Python Maint - 1.7.1-4.20220618git8e6892a5 - Rebuilt for Python 3.12 * Fri Jan 20 2023 Fedora Release Engineering - 1.7.1-3.20220618git8e6892a5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Fri Jul 22 2022 Fedora Release Engineering - 1.7.1-2.20220618git8e6892a5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Wed Jun 22 2022 Antonio Trande - 1.7.1-1.20220618git8e6892a5 - Post-release 1.7.1 (commit #8e6892a5) * Wed Jun 15 2022 Python Maint - 1.7-5 - Rebuilt for Python 3.11 * Fri Jan 21 2022 Fedora Release Engineering - 1.7-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Fri Jul 23 2021 Fedora Release Engineering - 1.7-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild * Fri Jun 04 2021 Python Maint - 1.7-2 - Rebuilt for Python 3.10 * Sat Jan 30 2021 Antonio Trande - 1.7-1 - Release 1.7 * Wed Jan 27 2021 Fedora Release Engineering - 1.6.4-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Sat Dec 26 2020 Antonio Trande - 1.6.4-1 - Release 1.6.4 * Wed Jul 29 2020 Fedora Release Engineering - 1.6.2-7 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Tue May 26 2020 Miro Hrončok - 1.6.2-6 - Rebuilt for Python 3.9 * Mon Mar 30 2020 Antonio Trande - 1.6.2-5 - Make patch unconditioned * Mon Mar 30 2020 Antonio Trande - 1.6.2-4 - Extend patch0 to Python-3.10 * Sun Mar 29 2020 Antonio Trande - 1.6.2-3 - Fix rhbz#1818598 * Fri Mar 06 2020 Antonio Trande - 1.6.2-2 - Remove shabangs from scripts - Add PyQt4 and vtk runtime dependencies * Fri Feb 28 2020 Antonio Trande - 1.6.2-1 - Release 1.6.2 * Fri Jul 13 2018 Fedora Release Engineering - 1.3.2-10 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild * Tue Jun 19 2018 Miro Hrončok - 1.3.2-9 - 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Move binaries to the right package - Remove deprecated tags and replace deprecated macros - Build python2 and python3 packages in the same directory - Use %%license macro * Sat Nov 14 2015 Mukundan Ragavan - 1.3.1-4 - Disable python3 tests temporarily - upstream issue filed * Tue Nov 10 2015 Fedora Release Engineering - 1.3.1-3 - Rebuilt for https://fedoraproject.org/wiki/Changes/python3.5 * Thu Jun 18 2015 Fedora Release Engineering - 1.3.1-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild * Sat Feb 14 2015 Mukundan Ragavan - 1.3.1-1 - Update to version 1.3.1 * Thu Jan 22 2015 Mukundan Ragavan - 1.3-1 - Update to version 1.3 * Sun Jul 13 2014 Mukundan Ragavan - 1.2-2 - Added python3 package * Fri Jun 13 2014 Mukundan Ragavan - 1.2-1 - Updated to 1.2 - Changed URL and Source0 to github links - Added sed lines to add file encoding for compiling under python-2.7 * Fri Jun 13 2014 Susi Lehtola - 1.1-1 - Update to 1.1 * Sat Jun 07 2014 Fedora Release Engineering - 1.0.1-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild * Sun Aug 04 2013 Fedora Release Engineering - 1.0.1-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild * Thu Feb 14 2013 Fedora Release Engineering - 1.0.1-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild * Sat Jul 21 2012 Fedora Release Engineering - 1.0.1-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild * Sat Jan 14 2012 Fedora Release Engineering - 1.0.1-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild * Tue Mar 15 2011 Jussi Lehtola - 1.0.1-1 - Update to 1.0.1 * Tue Feb 08 2011 Fedora Release Engineering - 1.0-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_15_Mass_Rebuild * Sat Jul 24 2010 Jussi Lehtola - 1.0-2 - Workaround bad permissions in tarball causing FTBFS * Fri Mar 12 2010 Jussi Lehtola - 1.0-1 - Update to 1.0 * Wed Feb 24 2010 Jussi Lehtola - 1.0a-1 - Update to 1.0a * Sun Feb 14 2010 Jussi Lehtola - 0.91-7 - Bump release * Fri Jul 31 2009 Jussi Lehtola - 0.91-6 - Drop extra requires by request of upstream * Sun Jul 26 2009 Fedora Release Engineering - 0.91-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_12_Mass_Rebuild * Sat May 02 2009 Jussi Lehtola - 0.91-4 - Put everything in main package instead * Fri Apr 24 2009 Jussi Lehtola - 0.91-3 - Branched supplementary Requires metapackage * Thu Apr 23 2009 Jussi Lehtola - 0.91-2 - Added BR: numpy and Requires: numpy - Removed test/ from %%doc * Thu Apr 23 2009 Jussi Lehtola - 0.91-1 - First release