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Information for build CheMPS2-1.8.9-22.fc40

ID13235
Package NameCheMPS2
Links Fedora Package Sources | Fedora Official Koji Buildsystem | Rocks RISC-V Koji Buildsystem | Fedora RISC-V GitHub | Old Koji Buildsystem
Version1.8.9
Release22.fc40
Epoch
DraftFalse
Sourcegit+https://src.fedoraproject.org/rpms/CheMPS2.git#4c908d43d97a4372d441c2c3c9c37d2878bf7168
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 bykojiadmin
State complete
Volume DEFAULT
StartedThu, 02 May 2024 10:39:50 CST
CompletedThu, 02 May 2024 10:56:23 CST
Taskbuild (f40, /rpms/CheMPS2.git:4c908d43d97a4372d441c2c3c9c37d2878bf7168)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/CheMPS2.git#4c908d43d97a4372d441c2c3c9c37d2878bf7168'}}
Tags
f40
RPMs
src
CheMPS2-1.8.9-22.fc40.src.rpm (info) (download)
riscv64
CheMPS2-1.8.9-22.fc40.riscv64.rpm (info) (download)
CheMPS2-devel-1.8.9-22.fc40.riscv64.rpm (info) (download)
CheMPS2-debuginfo-1.8.9-22.fc40.riscv64.rpm (info) (download)
CheMPS2-debugsource-1.8.9-22.fc40.riscv64.rpm (info) (download)
Logs
riscv64
installed_pkgs.log
root.log
state.log
build.log
hw_info.log
mock_output.log
Changelog * 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. * Wed Jul 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-16 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild