Thu, 20 Feb 2025 19:32:49 UTC | login

Information for build ergo-3.7-2.fc29

ID65228
Package Nameergo
Version3.7
Release2.fc29
Epoch
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
StartedThu, 26 Jul 2018 20:14:51 UTC
CompletedThu, 26 Jul 2018 22:06:03 UTC
Taskbuild (f29-candidate, ergo-3.7-2.fc29.src.rpm)
Tags
f29
f30
RPMs
src
ergo-3.7-2.fc29.src.rpm (info) (download)
noarch
ergo-doc-3.7-2.fc29.noarch.rpm (info) (download)
riscv64
ergo-3.7-2.fc29.riscv64.rpm (info) (download)
ergo-debuginfo-3.7-2.fc29.riscv64.rpm (info) (download)
ergo-debugsource-3.7-2.fc29.riscv64.rpm (info) (download)
Logs
riscv64
build.log
hw_info.log
mock_output.log
root.log
state.log
Changelog * 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 * Wed Aug 02 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.4-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild * Wed Jul 26 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.4-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild * Mon May 15 2017 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.4-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_27_Mass_Rebuild * Fri Feb 10 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.4-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild