Sun, 28 Apr 2024 22:59:22 UTC | login

Information for build ergo-3.8.2-3.fc40

ID297131
Package Nameergo
Version3.8.2
Release3.fc40
Epoch
Sourcegit+https://src.fedoraproject.org/rpms/ergo.git#cfcc2092af2f2d91bc40c061abd1c21c39d139e0
SummaryA program for large-scale self-consistent field calculations
DescriptionErgo is a quantum chemistry program for large-scale self-consistent field calculations. Key features of the Ergo program: * Performs electronic structure calculations using Hartree-Fock and Kohn-Sham density functional theory. * Uses Gaussian basis sets. * Both core and valence electrons are included in the calculations. * Both restricted and unrestricted models are implemented for energy calculations. * Implements a broad range of both pure and hybrid Kohn-Sham density functionals. * Employs modern linear scaling techniques like fast multipole methods, hierarchic sparse matrix algebra, density matrix purification, and efficient integral screening. * Linear scaling is achieved not only in terms of CPU usage but also memory utilization. * The time consuming parts of the code are currently parallelized using the shared-memory paradigm. Linear response calculations of polarizabilities and excitation energies are possible for the restricted reference density, although complete linear scaling is in the current implementation not achieved since full dense matrices are still used in parts of the linear response implementation.
Built bydavidlt
State complete
Volume DEFAULT
StartedMon, 18 Mar 2024 12:56:10 UTC
CompletedMon, 18 Mar 2024 17:42:42 UTC
Taskbuild (f40, /rpms/ergo.git:cfcc2092af2f2d91bc40c061abd1c21c39d139e0)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/ergo.git#cfcc2092af2f2d91bc40c061abd1c21c39d139e0'}}
Tags
f40
RPMs
src
ergo-3.8.2-3.fc40.src.rpm (info) (download)
noarch
ergo-doc-3.8.2-3.fc40.noarch.rpm (info) (download)
riscv64
ergo-3.8.2-3.fc40.riscv64.rpm (info) (download)
ergo-debuginfo-3.8.2-3.fc40.riscv64.rpm (info) (download)
ergo-debugsource-3.8.2-3.fc40.riscv64.rpm (info) (download)
Logs
riscv64
hw_info.log
state.log
build.log
root.log
mock_output.log
noarch_rpmdiff.json
Changelog * Wed Jan 24 2024 Fedora Release Engineering <releng@fedoraproject.org> - 3.8.2-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Fri Jan 19 2024 Fedora Release Engineering <releng@fedoraproject.org> - 3.8.2-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Mon Jul 24 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.8.2-1 - Update to 3.8.2. * Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-13 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-12 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Thu Jul 21 2022 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-11 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild