Thu, 28 Mar 2024 12:30:11 UTC | login

Information for build ergo-3.7-4.fc31

ID128591
Package Nameergo
Version3.7
Release4.fc31
Epoch
Sourcegit+https://src.fedoraproject.org/rpms/ergo.git#f0abe22a39be7b43d5129ceb91065e9c3496479e
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, 02 Sep 2019 08:35:57 UTC
CompletedTue, 03 Sep 2019 11:35:10 UTC
Taskbuild (f31-candidate, /rpms/ergo.git:f0abe22a39be7b43d5129ceb91065e9c3496479e)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/ergo.git#f0abe22a39be7b43d5129ceb91065e9c3496479e'}}
Tags
f31
f32
f33
f37
f38
RPMs
src
ergo-3.7-4.fc31.src.rpm (info) (download)
noarch
ergo-doc-3.7-4.fc31.noarch.rpm (info) (download)
riscv64
ergo-3.7-4.fc31.riscv64.rpm (info) (download)
ergo-debuginfo-3.7-4.fc31.riscv64.rpm (info) (download)
ergo-debugsource-3.7-4.fc31.riscv64.rpm (info) (download)
Logs
riscv64
build.log
hw_info.log
mock_output.log
noarch_rpmdiff.json
root.log
state.log
Changelog * Wed Jul 24 2019 Fedora Release Engineering <releng@fedoraproject.org> - 3.7-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild * Thu Jan 31 2019 Fedora Release Engineering <releng@fedoraproject.org> - 3.7-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild * Thu Jul 12 2018 Fedora Release Engineering <releng@fedoraproject.org> - 3.7-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild * Tue Jul 10 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.7-1 - Update to 3.7, trying to fix issues. * Sat Jun 23 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.6-2 - Fix FTBFS. * Wed Feb 28 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.6-1 - Added gcc-c++ buildrequires. - Update to 3.6. * Wed Feb 07 2018 Fedora Release Engineering <releng@fedoraproject.org> - 3.4-7 - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild