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Information for build ergo-3.7-4.fc33

ID150072
Package Nameergo
Version3.7
Release4.fc33
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 failed
Volume DEFAULT
StartedThu, 04 Jun 2020 16:38:43 UTC
CompletedTue, 09 Jun 2020 16:56:53 UTC
Taskbuild (f33, /rpms/ergo.git:f0abe22a39be7b43d5129ceb91065e9c3496479e)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/ergo.git#f0abe22a39be7b43d5129ceb91065e9c3496479e'}}
Tags No tags
RPMs No RPMs
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.