Name: qcint Version: 5.1.5 Release: 1%{?dist} Summary: An optimized libcint branch for X86 platform with SSE3 intrinsics License: GPLv3+ URL: https://github.com/sunqm/qcint Source0: https://github.com/sunqm/qcint/archive/v%{version}/qcint-%{version}.tar.gz # This package uses AVX/AVX2/AVX-512 extensions ExclusiveArch: x86_64 # qcint is a drop-in replacement of libcint with architecture dependent optimizations Conflicts: libcint BuildRequires: make BuildRequires: gcc BuildRequires: gcc-c++ BuildRequires: cmake %description Qcint is a branch of the libcint library. It provides exactly the same APIs as libcint. However, the code is optimized using AVX instructions. On x86_64 platform, qcint can be 5 ~ 50% faster than libcint. Please refer to libcint for more details of the features. %package devel Summary: Development files for %{name} Requires: %{name}%{?_isa} = %{version}-%{release} Conflicts: libcint-devel %description devel The %{name}-devel package contains libraries and header files for developing applications that use %{name}. %prep %setup -q %build export CFLAGS="%{optflags} -msse3 -Wl,--as-needed" %cmake -DENABLE_EXAMPLE=1 -DWITH_F12=1 -DWITH_COULOMB_ERF=1 -DWITH_RANGE_COULOMB=1 -DQUICK_TEST=1 -DBUILD_MARCH_NATIVE=OFF -S . -B %{_host} %make_build -C %{_host} %install %make_install -C %{_host} %ldconfig_scriptlets %files %doc README.md ChangeLog %license LICENSE %{_libdir}/libcint.so.* %files devel %{_includedir}/cint.h %{_includedir}/cint_funcs.h %{_libdir}/libcint.so %changelog * Thu Aug 25 2022 Susi Lehtola - 5.1.5-1 - Update to 5.1.5. * Fri Jul 22 2022 Fedora Release Engineering - 5.1.2-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Wed May 04 2022 Susi Lehtola - 5.1.2-1 - Update to 5.1.2. * Fri Jan 21 2022 Fedora Release Engineering - 5.1.1-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Tue Jan 18 2022 Susi Lehtola - 5.1.1-1 - Update to 5.1.1. * Sat Dec 25 2021 Susi Lehtola - 5.1.0-1 - Update to 5.1.0 for PySCF compatibility. * Mon Nov 08 2021 Susi Lehtola - 5.0.0-1 - Update to 5.0.0, which drops BLAS dependency. * Wed Sep 29 2021 Susi Lehtola - 4.4.6-1 - Update to 4.4.6. * Sat Aug 28 2021 Susi Lehtola - 4.4.5-1 - Update to 4.4.5. * Thu Aug 12 2021 Susi Lehtola - 4.4.4-1 - Update to 4.4.4. * Thu Jul 22 2021 Susi Lehtola - 4.4.3-1 - Update to 4.4.3. * Tue Jul 13 2021 Björn Esser - 4.4.2-2 - Properly set BLA_VENDOR to FlexiBLAS for cmake >= 3.19 * Mon Jul 12 2021 Susi Lehtola - 4.4.2-1 - Update to 4.4.2. * Sat Jun 05 2021 Susi Lehtola - 4.4.1-1 - Update to 4.4.1. * Tue May 18 2021 Susi Lehtola - 4.4.0-2 - Fix issue with illegal instructions caused by silent change of behavior in the upstream project. * Thu May 06 2021 Susi Lehtola - 4.4.0-1 - Update to 4.4.0. * Wed Apr 14 2021 Susi Lehtola - 4.1.3-1 - Update to 4.1.3. * Sun Apr 11 2021 Susi Lehtola - 4.1.2-1 - Update to 4.1.2. * Tue Apr 06 2021 Susi Lehtola - 4.1.1-1 - Update to 4.1.1. * Wed Jan 27 2021 Fedora Release Engineering - 4.0.6-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Fri Jan 01 2021 Susi Lehtola - 4.0.6-1 - Update to 4.0.6. * Sat Nov 14 2020 Susi Lehtola - 4.0.5-1 - Update to 4.0.5. * Thu Oct 08 2020 Susi Lehtola - 4.0.3-1 - Update to 4.0.3. * Mon Oct 05 2020 Susi Lehtola - 4.0.2-1 - Update to 4.0.2. - Make CMake build work also on released branches. * Sat Oct 03 2020 Susi Lehtola - 4.0.1-1 - Update to 4.0.1. * Sun Sep 27 2020 Susi Lehtola - 4.0.0-1 - Update to 4.0.0. * Wed Aug 26 2020 Susi Lehtola - 3.1.1-1 - Update to 3.1.1. * Sun Aug 16 2020 Iñaki Úcar - 3.0.20-6 - https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager * Wed Aug 05 2020 Susi Lehtola - 3.0.20-5 - Adapt to new CMake macros. * Wed Jul 29 2020 Fedora Release Engineering - 3.0.20-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Fri Jul 17 2020 Petr Viktorin - 3.0.20-3 - Remove BuildRequires on python2 * Sat May 23 2020 Susi Lehtola - 3.0.20-2 - Add conflicts with libcint-devel to qcint-devel package. * Thu May 14 2020 Susi Lehtola - 3.0.20-1 - Update to 3.0.20, no changes from 3.0.19. * Sun Feb 02 2020 Susi Lehtola - 3.0.19-3 - Use OpenBLAS instead of ATLAS. * Thu Jan 30 2020 Fedora Release Engineering - 3.0.19-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Mon Jan 13 2020 Susi Lehtola - 3.0.19-1 - Update to 3.0.19. * Fri Jul 26 2019 Fedora Release Engineering - 3.0.2-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild * Sat Feb 02 2019 Fedora Release Engineering - 3.0.2-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild * Sat Jul 14 2018 Fedora Release Engineering - 3.0.2-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild * Fri Feb 09 2018 Fedora Release Engineering - 3.0.2-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild * Wed Sep 27 2017 Susi Lehtola - 3.0.2-1 - Update to version 3.0.2. * Tue Sep 26 2017 Susi Lehtola - 3.0.1-1 - Update to version 3.0.1. * Thu Aug 03 2017 Fedora Release Engineering - 1.8.6-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild * Thu Jul 27 2017 Fedora Release Engineering - 1.8.6-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild * Sat Feb 11 2017 Fedora Release Engineering - 1.8.6-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild * Tue Jul 19 2016 Matt Chan - 1.8.6-1 - Initial build