ergo-3.8.2-3.fc40 | Build Info

Information for build ergo-3.8.2-3.fc40

297131

Package Name

ergo

Version

3.8.2

Release

3.fc40

Epoch

Source

git+https://src.fedoraproject.org/rpms/ergo.git#cfcc2092af2f2d91bc40c061abd1c21c39d139e0

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, 18 Mar 2024 12:56:10 UTC

Completed

Mon, 18 Mar 2024 17:42:42 UTC

Task

build (f40, /rpms/ergo.git:cfcc2092af2f2d91bc40c061abd1c21c39d139e0)

Extra

{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/ergo.git#cfcc2092af2f2d91bc40c061abd1c21c39d139e0'}}

Tags

f40

f41

RPMs

src
	ergo-3.8.2-3.fc40.src.rpm (info) (download)
noarch
	ergo-doc-3.8.2-3.fc40.noarch.rpm (info) (download)
riscv64
	ergo-3.8.2-3.fc40.riscv64.rpm (info) (download)
	ergo-debuginfo-3.8.2-3.fc40.riscv64.rpm (info) (download)
	ergo-debugsource-3.8.2-3.fc40.riscv64.rpm (info) (download)

Logs

riscv64
	hw_info.log
	state.log
	build.log
	root.log
	mock_output.log
	noarch_rpmdiff.json

Changelog

* Wed Jan 24 2024 Fedora Release Engineering <releng@fedoraproject.org> - 3.8.2-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Fri Jan 19 2024 Fedora Release Engineering <releng@fedoraproject.org> - 3.8.2-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Mon Jul 24 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.8.2-1 - Update to 3.8.2. * Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-13 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-12 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Thu Jul 21 2022 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-11 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild

Main Site Links:

Information for build ergo-3.8.2-3.fc40