ergo-3.7-4.fc31 | Build Info

Information for build ergo-3.7-4.fc31

128591

Package Name

ergo

Version

3.7

Release

4.fc31

Epoch

Source

git+https://src.fedoraproject.org/rpms/ergo.git#f0abe22a39be7b43d5129ceb91065e9c3496479e

Summary

A program for large-scale self-consistent field calculations

Description

Ergo 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 by

davidlt

State

complete

Volume

DEFAULT

Started

Mon, 02 Sep 2019 08:35:57 UTC

Completed

Tue, 03 Sep 2019 11:35:10 UTC

Task

build (f31-candidate, /rpms/ergo.git:f0abe22a39be7b43d5129ceb91065e9c3496479e)

Extra

{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/ergo.git#f0abe22a39be7b43d5129ceb91065e9c3496479e'}}

Tags

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

Main Site Links:

Information for build ergo-3.7-4.fc31