## START: Set by rpmautospec ## (rpmautospec version 0.8.4) ## RPMAUTOSPEC: autorelease, autochangelog %define autorelease(e:s:pb:n) %{?-p:0.}%{lua: release_number = 2; base_release_number = tonumber(rpm.expand("%{?-b*}%{!?-b:1}")); print(release_number + base_release_number - 1); }%{?-e:.%{-e*}}%{?-s:.%{-s*}}%{!?-n:%{?dist}} ## END: Set by rpmautospec %{!?perl_vendorarch:%global perl_vendorarch %(eval "`perl -V:installvendorarch`"; echo $installvendorarch)} # we don't want to provide private Perl or Python extension libs %global __provides_exclude_from ^(%{perl_vendorarch}/auto|%{python3_sitearch})/.*\\.so$ # Avoid LTO flags in these architectures: # eigen3/Eigen/src/Core/arch/AltiVec/MatrixProduct.h:1199:26: # error: inlining failed in call to 'always_inline' 'Eigen::internal::bload, double __vector(2), long, 2l, 0, %if 0%{?rhel} %ifarch %{power64} %define _lto_cflags %{nil} %endif %endif Name: openbabel Version: 3.2.0 Release: %autorelease Summary: Chemistry software file format converter License: GPL-2.0-only URL: https://openbabel.org/ Source0: https://github.com/openbabel/openbabel/archive/openbabel-openbabel-%(echo %{version} | tr '.' '-').tar.gz Source1: obgui.desktop Source2: openbabel-inchi-license-lgpl-2.1.txt # fix perl modules install path Patch0: %{name}-perl.patch # fix openbabel version + cmake config files Patch1: %{name}-plugindir.patch # Fix path to libdir in .pc file # https://bugzilla.redhat.com/show_bug.cgi?id=1669664 Patch5: %{name}-fix-libdir-in-pkgconfig.patch # (temporarily) disable some tests on: riscv64 Patch11: %{name}-disable-tests-riscv64.patch BuildRequires: make BuildRequires: boost-devel BuildRequires: swig BuildRequires: cmake BuildRequires: dos2unix BuildRequires: desktop-file-utils BuildRequires: eigen3-devel BuildRequires: gcc-c++ %if 0%{?fedora} BuildRequires: inchi-devel >= 1.0.3 %endif %if 0%{?fedora} || 0%{?rhel} >= 10 BuildRequires: wxGTK-devel %else BuildRequires: wxGTK3-devel %endif BuildRequires: libxml2-devel BuildRequires: ImageMagick BuildRequires: rapidjson-devel Requires: %{name}-libs%{?_isa} = %{version}-%{release} %description Open Babel is a free, open-source version of the Babel chemistry file translation program. Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling, computational chemistry, and many related areas. This package contains the command-line utility, which is intended to be used as a replacement for the original babel program, to translate between various chemical file formats as well as a wide variety of utilities to foster development of other open source scientific software. %package devel Summary: Development tools for programs which will use the Open Babel library Requires: %{name}-libs%{?_isa} = %{version}-%{release} Requires: eigen3-devel %description devel The %{name}-devel package includes the header files and libraries necessary for developing programs using the Open Babel library. %package doc Summary: Additional documentation for the Open Babel library BuildArch: noarch %description doc This package contains additional documentation for Open Babel. %package gui Summary: Chemistry software file format converter - GUI version Requires: %{name}-libs%{?_isa} = %{version}-%{release} %description gui Open Babel is a free, open-source version of the Babel chemistry file translation program. Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling, computational chemistry, and many related areas. This package contains the graphical interface. %package libs Summary: Chemistry software file format converter - libraries %if 0%{?rhel} License: GPL-2.0-only AND LGPL-2.1-or-later Provides: bundled(libinchi) = 1.07.4 %endif %description libs Open Babel is a free, open-source version of the Babel chemistry file translation program. Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling, computational chemistry, and many related areas. This package contains the C++ library, which includes all of the file-translation code. %package -n perl-%{name} Summary: Perl wrapper for the Open Babel library Requires: %{name}-libs%{?_isa} = %{version}-%{release} BuildRequires: perl-devel BuildRequires: perl-generators %description -n perl-%{name} Perl wrapper for the Open Babel library. %package -n python3-%{name} Summary: Python wrapper for the Open Babel library Requires: %{name}-libs%{?_isa} = %{version}-%{release} BuildRequires: python3-devel BuildRequires: python3-setuptools %{?python_provide:%python_provide python3-%{name}} Obsoletes: python2-%{name} < 0:%{version}-%{release} %description -n python3-%{name} Python3 wrapper for the Open Babel library. %package -n ruby-%{name} Summary: Ruby wrapper for the Open Babel library Requires: ruby(release) Requires: %{name}-libs%{?_isa} = %{version}-%{release} BuildRequires: ruby-devel %description -n ruby-%{name} Ruby wrapper for the Open Babel library. %prep %setup -q -n %{name}-%{name}-%(echo %{version} | tr '.' '-') %patch -P 0 -p1 -b .perl_path %patch -P 1 -p1 -b .plugindir %patch -P 5 -p1 -b .backup %ifarch riscv64 #patch -P 11 -p1 -b .riscv64 %endif %if 0%{?fedora} rm -rf src/formats/libinchi %else cp -p %{SOURCE2} ./inchi-license-lgpl-2.1.txt %endif # convert to Unix line endings dos2unix -k \ data/chemdrawcdx.h \ include/openbabel/{tautomer.h,math/align.h} \ src/math/align.cpp \ test/testsmartssym.py \ magick src/GUI/babel.xpm -transparent white babel.png # Remove duplicate html files pushd doc for man in *.1; do html=`basename $man .1`.html if [ -f $html ]; then rm $html fi done popd %build %if 0%{?fedora} || 0%{?rhel} # RHBZ #1996330 %ifarch %{power64} export CXXFLAGS="%{optflags} -DEIGEN_ALTIVEC_DISABLE_MMA" %endif %endif %cmake \ -Wno-dev \ -DCMAKE_SKIP_RPATH:BOOL=ON \ -DBUILD_GUI:BOOL=ON \ -DPYTHON_BINDINGS:BOOL=ON \ -DPYTHON_EXECUTABLE=%{__python3} \ -DPERL_BINDINGS:BOOL=ON \ -DRUBY_BINDINGS:BOOL=ON \ -DWITH_MAEPARSER:BOOL=OFF \ -DWITH_COORDGEN:BOOL=OFF \ -DOB_PLUGIN_INSTALL_DIR:PATH=%{_lib}/openbabel3 \ %if 0%{?rhel} -DOPENBABEL_USE_SYSTEM_INCHI=false \ %else -DOPENBABEL_USE_SYSTEM_INCHI=true \ -DINCHI_INCLUDE_DIR:PATH=%{_includedir}/inchi \ -DINCHI_LIBRARY:FILEPATH=%{_libdir}/libinchi.so \ %endif -DENABLE_VERSIONED_FORMATS=false \ -DRUN_SWIG:BOOL=ON \ -DENABLE_TESTS:BOOL=ON \ -DOPTIMIZE_NATIVE=OFF \ -DGLIBC_24_COMPATIBLE:BOOL=OFF \ -DEigen3_DIR:PATH=%{_datadir}/cmake/eigen3 \ -DRUBY_INSTDIR:PATH=%{_libdir}/ruby/vendor_ruby %cmake_build %install %cmake_install rm -f %{buildroot}%{_libdir}/cmake/openbabel2/*.cmake desktop-file-install --dir=%{buildroot}%{_datadir}/applications %{SOURCE1} install -Dpm644 babel.png %{buildroot}%{_datadir}/pixmaps/babel.png # Create profile files mkdir -p %{buildroot}%{_sysconfdir}/profile.d cat > %{buildroot}%{_sysconfdir}/profile.d/openbabel3.sh < %{buildroot}%{_sysconfdir}/profile.d/openbabel3.csh < - 3.2.0-2 - Update version of bundled libinchi * Fri Jun 26 2026 Antonio Trande - 3.2.0-1 - Release 3.2.0 * Thu Jun 04 2026 Python Maint - 3.1.1-55 - Rebuilt for Python 3.15 * Fri Mar 20 2026 Antonio Trande - 3.1.1-54 - Fix magick command * Wed Feb 11 2026 Antonio Trande - 3.1.1-53 - Fix BR cmake * Wed Feb 11 2026 Yaakov Selkowitz - 3.1.1-52 - Fix eigen3 detection * Sun Jan 18 2026 Antonio Trande - 3.1.1-51 - Fix rhbz#2430674 * Fri Jan 16 2026 Fedora Release Engineering - 3.1.1-50 - Rebuilt for https://fedoraproject.org/wiki/Fedora_44_Mass_Rebuild * Thu Jan 08 2026 Mamoru TASAKA - 3.1.1-49 - Rebuild for https://fedoraproject.org/wiki/Changes/Ruby_4.0 * Sun Oct 12 2025 Yaakov Selkowitz - 3.1.1-48 - Fix cmake config for flatpak builds * Fri Sep 19 2025 Python Maint - 3.1.1-47 - Rebuilt for Python 3.14.0rc3 bytecode * Fri Aug 15 2025 Python Maint - 3.1.1-46 - Rebuilt for Python 3.14.0rc2 bytecode * Fri Jul 25 2025 Cristian Le - 3.1.1-45 - CMake 4.0 support * Thu Jul 24 2025 Fedora Release Engineering - 3.1.1-44 - Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild * Fri Jul 18 2025 Antonio Trande - 3.1.1-43 - Fix rhbz#2381326 * Mon Jul 07 2025 Jitka Plesnikova - 3.1.1-42 - Perl 5.42 rebuild * Tue Jun 03 2025 Python Maint - 3.1.1-41 - Rebuilt for Python 3.14 * Mon Mar 24 2025 Kristina Hanicova - 3.1.1-40 - Fix tests for riscv64 * Tue Jan 21 2025 Antonio Trande - 3.1.1-39 - Exclude failed test_align_ with GCC15 * Tue Jan 21 2025 Antonio Trande - 3.1.1-38 - Exclude failed test_align_4 with GCC15 * Fri Jan 17 2025 Fedora Release Engineering - 3.1.1-37 - Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild * Wed Jan 08 2025 Mamoru TASAKA - 3.1.1-36 - Rebuild for https://fedoraproject.org/wiki/Changes/Ruby_3.4 * Mon Aug 05 2024 Yaakov Selkowitz - 3.1.1-35 - Fix ELN build * Thu Jul 18 2024 Fedora Release Engineering - 3.1.1-34 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild * Wed Jun 12 2024 Jitka Plesnikova - 3.1.1-33 - Perl 5.40 rebuild * Sat Jun 08 2024 Python Maint - 3.1.1-32 - Rebuilt for Python 3.13 * Sat May 25 2024 Antonio Trande - 3.1.1-31 - Fix changelog * Sat May 25 2024 Antonio Trande - 3.1.1-30 - Fix patch commands * Thu Mar 28 2024 Antonio Trande - 3.1.1-29 - Use rhel macro instead of eln (rhbz#2271818) * Thu Jan 25 2024 Fedora Release Engineering - 3.1.1-28 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Sun Jan 21 2024 Fedora Release Engineering - 3.1.1-27 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Wed Jan 03 2024 Mamoru TASAKA - 3.1.1-26 - Rebuild for https://fedoraproject.org/wiki/Changes/Ruby_3.3 * Fri Oct 13 2023 Yaakov Selkowitz - 3.1.1-25 - Fix cmake for flatpak builds * Fri Oct 13 2023 Yaakov Selkowitz - 3.1.1-24 - Specify inchi location * Thu Jul 20 2023 Fedora Release Engineering - 3.1.1-23 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Tue Jul 11 2023 Jitka Plesnikova - 3.1.1-22 - Perl 5.38 rebuild * Tue Jun 13 2023 Python Maint - 3.1.1-21 - Rebuilt for Python 3.12 * Fri Feb 17 2023 Alexander Ploumistos - 3.1.1-20 - Switch to SPDX license identifier * Wed Feb 08 2023 Antonio Trande - 3.1.1-19 - Fix config files (rhbz#2168290) * Thu Jan 19 2023 Fedora Release Engineering - 3.1.1-18 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Fri Jan 13 2023 Jitka Plesnikova - 3.1.1-17 - Remove perl(MODULE_COMPAT), it will be replaced by generators * Wed Jan 04 2023 Mamoru TASAKA - 3.1.1-16 - Rebuild for https://fedoraproject.org/wiki/Changes/Ruby_3.2 * Thu Sep 29 2022 Antonio Trande - 3.1.1-15 - Fix rhbz#2130870 * Tue Sep 27 2022 Antonio Trande - 3.1.1-14 - Fix EPEL builds * Tue Sep 27 2022 Antonio Trande - 3.1.1-13 - New rebuild * Mon Aug 08 2022 Antonio Trande - 3.1.1-12 - Add profile file openbabel3.sh (rhbz#2112710) * Thu Aug 04 2022 Scott Talbert - 3.1.1-11 - Rebuild with wxWidgets 3.2 * Fri Jul 22 2022 Fedora Release Engineering - 3.1.1-10 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Fri Jul 08 2022 Antonio Trande - 3.1.1-9 - Patched for rhbz#2105259 * Mon Jun 13 2022 Python Maint - 3.1.1-8 - Rebuilt for Python 3.11 * Mon May 30 2022 Jitka Plesnikova - 3.1.1-7 - Perl 5.36 rebuild * Thu Jan 27 2022 Vít Ondruch - 3.1.1-6 - Rebuilt for https://fedoraproject.org/wiki/Changes/Ruby_3.1 * Thu Jan 20 2022 Fedora Release Engineering - 3.1.1-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Wed Dec 15 2021 Antonio Trande - 3.1.1-4 - Use bundled inchi on EPEL | Fix installation of license file * Wed Dec 15 2021 Antonio Trande - 3.1.1-3 - Use bundled inchi on EPEL | Fix CMake options * Wed Dec 15 2021 Antonio Trande - 3.1.1-2 - Use bundled inchi on EPEL * Sat Nov 06 2021 Antonio Trande - 3.1.1-1 - Release 3.1.1 * Wed Sep 01 2021 Antonio Trande - 2.4.1-48 - Add dependencies among sub-packages * Wed Sep 01 2021 Antonio Trande - 2.4.1-47 - Install license file and some release documentation * Wed Sep 01 2021 Antonio Trande - 2.4.1-46 - Use CMake3 in EPEL7| Fix PPC64le builds (rhbz#1996330) * Thu Jul 22 2021 Fedora Release Engineering - 2.4.1-45 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild * Fri Jun 04 2021 Python Maint - 2.4.1-44 - Rebuilt for Python 3.10 * Fri May 21 2021 Jitka Plesnikova - 2.4.1-43 - Perl 5.34 rebuild * Mon Apr 19 2021 Tomas Hrnciar - 2.4.1-42 - BuildRequire setuptools explicitly * Tue Jan 26 2021 Fedora Release Engineering - 2.4.1-41 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Thu Jan 07 2021 Tom Stellard - 2.4.1-40 - Add BuildRequires: make * Wed Jan 06 2021 Mamoru TASAKA - 2.4.1-39 - F-34: rebuild against ruby 3.0 * Thu Jul 30 2020 Rex Dieter - 2.4.1-38 - adjust for new %%cmake macros (#1859850) * Tue Jul 28 2020 Fedora Release Engineering - 2.4.1-37 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Mon Jun 22 2020 Jitka Plesnikova - 2.4.1-36 - Perl 5.32 rebuild * Tue May 26 2020 Miro Hrončok - 2.4.1-35 - Rebuilt for Python 3.9 * Wed Jan 29 2020 Fedora Release Engineering - 2.4.1-34 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Sun Jan 19 2020 Mamoru TASAKA - 2.4.1-33 - F-32: rebuild against ruby27 * Thu Oct 03 2019 Miro Hrončok - 2.4.1-32 - Rebuilt for Python 3.8.0rc1 (#1748018) * Mon Aug 19 2019 Miro Hrončok - 2.4.1-31 - Rebuilt for Python 3.8 * Thu Jul 25 2019 Fedora Release Engineering - 2.4.1-30 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild * Tue Jun 18 2019 Petr Písař - 2.4.1-29 - Obsolete by name only * Thu May 30 2019 Jitka Plesnikova - Perl 5.30 rebuild * Mon Mar 04 2019 Dominik 'Rathann' Mierzejewski - Obsolete python2 subpackage. * Mon Mar 04 2019 Dominik 'Rathann' Mierzejewski - 2.4.1-26 - drop python2 subpackage (#1648558) * Fri Feb 01 2019 Fedora Release Engineering - 2.4.1-25 - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild * Mon Jan 28 2019 Igor Gnatenko - 2.4.1-24 - Remove obsolete Group tag * Mon Jan 28 2019 Mamoru TASAKA - 2.4.1-23 - F-30: rebuild again against ruby26 * Sun Jan 27 2019 Dominik 'Rathann' Mierzejewski - 2.4.1-22 - Disable another failing test on s390x, only on rawhide * Sun Jan 27 2019 Dominik 'Rathann' Mierzejewski - 2.4.1-21 - RPMAUTOSPEC: unresolvable merge ## END: Generated by rpmautospec