Wed, 11 Dec 2024 12:18:26 UTC | login

Information for build ergo-3.8-11.fc37

ID219830
Package Nameergo
Version3.8
Release11.fc37
Epoch
Sourcegit+https://src.fedoraproject.org/rpms/ergo.git#e0bce9c76de2e70376decf8a4019227decf93113
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
StartedSat, 12 Nov 2022 08:51:45 UTC
CompletedSat, 12 Nov 2022 14:17:51 UTC
Taskbuild (f37, /rpms/ergo.git:e0bce9c76de2e70376decf8a4019227decf93113)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/ergo.git#e0bce9c76de2e70376decf8a4019227decf93113'}}
Tags
f37
f38
f39
f40
RPMs
src
ergo-3.8-11.fc37.src.rpm (info) (download)
noarch
ergo-doc-3.8-11.fc37.noarch.rpm (info) (download)
riscv64
ergo-3.8-11.fc37.riscv64.rpm (info) (download)
ergo-debuginfo-3.8-11.fc37.riscv64.rpm (info) (download)
ergo-debugsource-3.8-11.fc37.riscv64.rpm (info) (download)
Logs
riscv64
build.log
hw_info.log
mock_output.log
noarch_rpmdiff.json
root.log
state.log
Changelog * Thu Jul 21 2022 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-11 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Thu Jan 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-10 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Wed Jul 21 2021 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-9 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild * Thu Feb 18 2021 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.8-8 - Disable i386 again since it's not building. * Tue Jan 26 2021 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-7 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Fri Nov 13 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.8-6 - Resurrect i386 and switch to BLIS. * Sun Aug 16 2020 Iñaki Úcar <iucar@fedoraproject.org> - 3.8-5 - https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager * Tue Aug 11 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.8-4 - Disable i386 architectures they are no longer supported. * Sat Aug 01 2020 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-3 - Second attempt - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Mon Jul 27 2020 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild