Tue, 26 Nov 2024 04:21:01 UTC | login

Information for build CheMPS2-1.8.9-6.fc33

ID142575
Package NameCheMPS2
Version1.8.9
Release6.fc33
Epoch
Sourcegit+https://src.fedoraproject.org/rpms/CheMPS2.git#ef5d03f3ba7581c8e9e09c0cf98f4afa222583ce
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
StartedFri, 27 Mar 2020 10:39:29 UTC
CompletedFri, 27 Mar 2020 11:29:22 UTC
Taskbuild (f33, /rpms/CheMPS2.git:ef5d03f3ba7581c8e9e09c0cf98f4afa222583ce)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/CheMPS2.git#ef5d03f3ba7581c8e9e09c0cf98f4afa222583ce'}}
Tags
f33
RPMs
src
CheMPS2-1.8.9-6.fc33.src.rpm (info) (download)
riscv64
CheMPS2-1.8.9-6.fc33.riscv64.rpm (info) (download)
CheMPS2-devel-1.8.9-6.fc33.riscv64.rpm (info) (download)
CheMPS2-debuginfo-1.8.9-6.fc33.riscv64.rpm (info) (download)
CheMPS2-debugsource-1.8.9-6.fc33.riscv64.rpm (info) (download)
Logs
riscv64
build.log
hw_info.log
mock_output.log
root.log
state.log
Changelog * Tue Jan 28 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Wed Jul 24 2019 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild * Sat Mar 16 2019 Orion Poplawski <orion@nwra.com> - 1.8.9-4 - Rebuild for hdf5 1.10.5 * Thu Jan 31 2019 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild * Tue Jan 15 2019 Miro Hrončok <mhroncok@redhat.com> - 1.8.9-2 - Subpackage python2-chemps2 has been removed See https://fedoraproject.org/wiki/Changes/Mass_Python_2_Package_Removal * Sun Nov 11 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.8.9-1 - Switch to using OpenBLAS instead of ATLAS. - Update to 1.8.9. * Thu Jul 12 2018 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.3-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild