Name: libghemical Summary: Libraries for the Ghemical chemistry package Version: 3.0.0 Release: 19%{?dist} License: GPLv2+ URL: http://www.bioinformatics.org/ghemical/ghemical/index.html Source0: http://www.bioinformatics.org/ghemical/download/current/%{name}-%{version}.tar.gz BuildRequires: flexiblas-devel BuildRequires: flex BuildRequires: glib2-devel BuildRequires: gcc-c++ BuildRequires: gcc-gfortran BuildRequires: make BuildRequires: libtool BuildRequires: intltool BuildRequires: libint-devel BuildRequires: mesa-libGLU-devel BuildRequires: mpqc-devel BuildRequires: mopac7-devel # Libint releases can have API breakages, leading to segfaults. Requires: libint(api)%{?_isa} = %{_libint_apiversion} %description Data files and dynamic libraries for the Ghemical chemistry package. These libraries implement the quantum-mechanics and molecular mechanics models used to compute molecular properties. %package devel Summary: Header files and static libraries from %{name} Requires: %{name}%{?_isa} = %{version}-%{release} Requires: pkgconfig %description devel Libraries and header include files for developing programs based on %{name}. %prep %autosetup %build sed -i 's/blas/flexiblas/g' configure.ac sed -i 's/lapack/flexiblas/g' configure.ac autoreconf -ivf %configure --enable-mopac7 --enable-mpqc --disable-static --disable-sctest %make_build sed -ir -e 's/^Libs:.*/Libs: -L${libdir} -lghemical/g' libghemical.pc %install %make_install find %{buildroot}%{_libdir} -name *.la -exec rm -rf {} \; %find_lang %{name} %files -f %{name}.lang %doc AUTHORS ChangeLog TODO %license COPYING %{_datadir}/%{name}/ %{_libdir}/libghemical.so.5.0.1 %{_libdir}/libghemical.so.5 %files devel %{_includedir}/ghemical/ %{_libdir}/libghemical.so %{_libdir}/pkgconfig/libghemical.pc %changelog * Thu Jul 21 2022 Fedora Release Engineering - 3.0.0-19 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Thu Jan 20 2022 Fedora Release Engineering - 3.0.0-18 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Sat Nov 06 2021 Antonio Trande - 3.0.0-17 - SPEC file revisited * Thu Jul 22 2021 Fedora Release Engineering - 3.0.0-16 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild * Tue Jan 26 2021 Fedora Release Engineering - 3.0.0-15 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Thu Aug 27 2020 Iñaki Úcar - 3.0.0-14 - https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager * Tue Jul 28 2020 Fedora Release Engineering - 3.0.0-13 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Wed Jan 29 2020 Fedora Release Engineering - 3.0.0-12 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Thu Jul 25 2019 Fedora Release Engineering - 3.0.0-11 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild * Fri Feb 01 2019 Fedora Release Engineering - 3.0.0-10 - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild * Fri Jul 13 2018 Fedora Release Engineering - 3.0 .0-9 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild * Wed Feb 07 2018 Fedora Release Engineering - 3.0.0-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild * Wed Jan 31 2018 Mamoru TASAKA - 3.0.0-7 - F-28: rebuild for gfortran 8 * Thu Aug 03 2017 Fedora Release Engineering - 3.0.0-6.1 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild * Wed Jul 26 2017 Fedora Release Engineering - 3.0.0-5.1 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild * Mon May 15 2017 Fedora Release Engineering - 3.0.0-4.1 - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_27_Mass_Rebuild * Fri Feb 10 2017 Fedora Release Engineering - 3.0.0-3.1 - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild * Sun Jan 29 2017 Mamoru TASAKA - 3.0.0-2.1 - F-26: rebuild against gfortran 7 * Fri May 6 2016 Mamoru TASAKA - Rebuild * Fri May 6 2016 Mamoru TASAKA - 3.0.0-1 - 3.0.0 * Fri May 6 2016 Mamoru TASAKA - 2.99.1-32 - Rebuild with fixed mpqc (sc-config) - Kill libghemical-use-atlas.patch, fixed in mpqc side * Thu Feb 04 2016 Fedora Release Engineering - 2.99.1-31 - Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild * Wed Jun 17 2015 Fedora Release Engineering - 2.99.1-30 - Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild * Sat May 02 2015 Kalev Lember - 2.99.1-29 - Rebuilt for GCC 5 C++11 ABI change * Tue Nov 18 2014 Mamoru TASAKA - 2.99.1-28 - Once revert to the version which is currently buildroot - Add needed BRs - Fix Requires for libint api * Sat Jun 07 2014 Fedora Release Engineering - 2.99.1-27 - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild * Mon Dec 23 2013 Susi Lehtola 2.99.1-26 - Rebuild for new libint. * Sun Sep 22 2013 Carl Byington 2.99.1-25 - rebuild for new atlas and blas libraries * Sat Aug 03 2013 Fedora Release Engineering - 2.99.1-24 - Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild * Fri Mar 29 2013 Carl Byington 2.99.1-23 - add autoreconf for aarch64 * Thu Feb 14 2013 Fedora Release Engineering - 2.99.1-22 - Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild * Wed Jul 25 2012 Jussi Lehtola - 2.99.1-21 - Rebuild due to changed libint. * Thu Jul 19 2012 Fedora Release Engineering - 2.99.1-20 - Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild * Tue Feb 28 2012 Fedora Release Engineering - 2.99.1-19 - Rebuilt for c++ ABI breakage * Fri Jan 13 2012 Fedora Release Engineering - 2.99.1-18 - Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild * Wed Dec 08 2010 Carl Byington 2.99.1-17 - rebuild for libint changes * Sun Jun 20 2010 Carl Byington 2.99.1-16 - new tag need for make build * Tue Apr 20 2010 Carl Byington 2.99.1-15 - patch libghemical.pc to avoid unnecessary parts * Thu Apr 08 2010 Carl Byington 2.99.1-14 - patch configure.ac to pull in the required sc_ libs * Mon Apr 05 2010 Carl Byington 2.99.1-13 - improved package description - link against mopac7 since we need that - remove unnecessary build-requires * Sat Apr 03 2010 Carl Byington 2.99.1-12 - merge -data and -libs packages into main package * Sat Jan 09 2010 Carl Byington 2.99.1-11 - add COPYING license file to doc * Mon Jan 04 2010 Carl Byington 2.99.1-10 - use blas and lapack from atlas. * Wed Dec 23 2009 Carl Byington 2.99.1-9 - devel requires pkgconfig for EPEL * Wed Dec 23 2009 Carl Byington 2.99.1-8 - install -p to preserve timestamps - trim changelog - explicit includedir name - add pkgconfig for EPEL * Sun Dec 20 2009 Carl Byington 2.99.1-7 - explicit names in %%files section rather than wildcards * Sat Dec 05 2009 Carl Byington 2.99.1-6 - remove unnecessary f2c requirement * Wed Dec 02 2009 Carl Byington 2.99.1-5 - convert to fedora compatible spec file - remove static libraries * Fri Oct 16 2009 Guillaume Bedot 2.99.1-4mdv2010.0 - Revision: 457836 - rebuild