Sat, 30 Nov 2024 03:12:05 UTC | login

Information for build CheMPS2-1.8.3-8.fc29

ID52340
Package NameCheMPS2
Version1.8.3
Release8.fc29
Epoch
SummaryA spin-adapted implementation of DMRG for ab initio quantum chemistry
DescriptionThe CheMPS2 library provides a free open-source spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction. For the input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the 2-RDM of the active space. The latter allows to calculate various properties, as well as the gradient and Hessian for orbital rotations or nuclear displacements.
Built bydavidlt
State complete
Volume DEFAULT
StartedWed, 18 Jul 2018 22:32:47 UTC
CompletedWed, 18 Jul 2018 23:38:07 UTC
Taskbuild (f29-candidate, CheMPS2-1.8.3-8.fc29.src.rpm)
Tags
f29
RPMs
src
CheMPS2-1.8.3-8.fc29.src.rpm (info) (download)
riscv64
CheMPS2-1.8.3-8.fc29.riscv64.rpm (info) (download)
CheMPS2-devel-1.8.3-8.fc29.riscv64.rpm (info) (download)
python2-chemps2-1.8.3-8.fc29.riscv64.rpm (info) (download)
CheMPS2-debuginfo-1.8.3-8.fc29.riscv64.rpm (info) (download)
CheMPS2-debugsource-1.8.3-8.fc29.riscv64.rpm (info) (download)
python2-chemps2-debuginfo-1.8.3-8.fc29.riscv64.rpm (info) (download)
Logs
riscv64
build.log
hw_info.log
mock_output.log
root.log
state.log
Changelog * Thu Jul 12 2018 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.3-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild * Wed Feb 07 2018 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.3-7 - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild * Sun Aug 20 2017 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 1.8.3-6 - Add Provides for the old name without %_isa * Sat Aug 19 2017 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 1.8.3-5 - Python 2 binary package renamed to python2-chemps2 See https://fedoraproject.org/wiki/FinalizingFedoraSwitchtoPython3 * Wed Aug 02 2017 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.3-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild * Wed Jul 26 2017 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.3-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild * Fri Feb 10 2017 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.3-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild * Sun Feb 05 2017 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.8.3-1 - Update to 1.8.3. * Mon Aug 29 2016 Matt Chan <talcite@gmail.com> - 1.8-1 - Updated to 1.8, Updated patches, build shared only * Tue Jul 19 2016 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.7.3-2 - https://fedoraproject.org/wiki/Changes/Automatic_Provides_for_Python_RPM_Packages * Thu Jul 14 2016 Matt Chan <talcite@gmail.com> - 1.7.3-1 - Updated to 1.7.3 * Wed Jun 15 2016 Matt Chan <talcite@gmail.com> - 1.7.2-1 - Updated to 1.7.2 * Wed Jun 15 2016 Matt Chan <talcite@gmail.com> - 1.7-4 - Added patch, cleaned up specfile * Wed Jun 15 2016 Matt Chan <talcite@gmail.com> - 1.7-3 - Changed CXX flags, changed BR * Tue Jun 14 2016 Matt Chan <talcite@gmail.com> - 1.7-2 - Changed to follow packaging guidelines - Added zlib for RHEL6 compatibility * Sat Jun 11 2016 Matt Chan <talcite@gmail.com> - 1.7-1 - Initial build