Wed, 08 Jan 2025 10:33:07 UTC | login

Information for build CheMPS2-1.8.9-25.fc42

ID344611
Package NameCheMPS2
Version1.8.9
Release25.fc42
Epoch
Sourcegit+https://src.fedoraproject.org/rpms/CheMPS2.git#8f0bbc485cd12dfa2c10a153a1b1f17969458b6e
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
StartedSat, 04 Jan 2025 09:27:07 UTC
CompletedSat, 04 Jan 2025 09:51:45 UTC
Taskbuild (f42, /rpms/CheMPS2.git:8f0bbc485cd12dfa2c10a153a1b1f17969458b6e)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/CheMPS2.git#8f0bbc485cd12dfa2c10a153a1b1f17969458b6e'}}
Tags
f42
RPMs
src
CheMPS2-1.8.9-25.fc42.src.rpm (info) (download)
riscv64
CheMPS2-1.8.9-25.fc42.riscv64.rpm (info) (download)
CheMPS2-devel-1.8.9-25.fc42.riscv64.rpm (info) (download)
CheMPS2-debuginfo-1.8.9-25.fc42.riscv64.rpm (info) (download)
CheMPS2-debugsource-1.8.9-25.fc42.riscv64.rpm (info) (download)
Logs
riscv64
state.log
build.log
root.log
hw_info.log
mock_output.log
Changelog * Fri Oct 25 2024 Orion Poplawski <orion@nwra.com> - 1.8.9-25 - Rebuild for hdf5 1.14.5 * Fri Jul 26 2024 Miroslav Suchý <msuchy@redhat.com> - 1.8.9-24 - convert license to SPDX * Wed Jul 17 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-23 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild * Mon Jan 22 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-22 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Fri Jan 19 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-21 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Thu Jan 18 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-20 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-19 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Wed Jan 18 2023 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-18 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Fri Jan 13 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.8.9-17 - Rebuild due to erroneous package retirement.