CheMPS2-1.8.9-16.fc37 | Build Info | ISCAS openkoji system

Information for build CheMPS2-1.8.9-16.fc37

14358

Package Name

CheMPS2

Version

1.8.9

Release

16.fc37

Epoch

Source

git+https://src.fedoraproject.org/rpms/CheMPS2.git#35234e71311a8e245ba2c39601ed8e31fb73b63c

Summary

A spin-adapted implementation of DMRG for ab initio quantum chemistry

Description

The CheMPS2 library provides a free open-source spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction. For the input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the 2-RDM of the active space. The latter allows to calculate various properties, as well as the gradient and Hessian for orbital rotations or nuclear displacements.

Built by

kojiadmin

State

complete

Volume

DEFAULT

Started

Sat, 21 Jan 2023 20:11:58 CST

Completed

Sat, 21 Jan 2023 20:45:28 CST

Task

build (f37-build-side-32-misc-devel, /rpms/CheMPS2.git:35234e71311a8e245ba2c39601ed8e31fb73b63c)

Extra

{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/CheMPS2.git#35234e71311a8e245ba2c39601ed8e31fb73b63c'}}

Tags

f37-build-side-32-misc-devel

f37-updates

RPMs

src
	CheMPS2-1.8.9-16.fc37.src.rpm (info) (download)
riscv64
	CheMPS2-1.8.9-16.fc37.riscv64.rpm (info) (download)
	CheMPS2-devel-1.8.9-16.fc37.riscv64.rpm (info) (download)
	CheMPS2-debuginfo-1.8.9-16.fc37.riscv64.rpm (info) (download)
	CheMPS2-debugsource-1.8.9-16.fc37.riscv64.rpm (info) (download)

Logs

riscv64
	installed_pkgs.log
	root.log
	state.log
	build.log
	hw_info.log
	mock_output.log

Changelog

* Wed Jul 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-16 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Wed Jan 19 2022 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-15 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Sun Nov 21 2021 Orion Poplawski <orion@nwra.com> - 1.8.9-14 - Rebuild for hdf5 1.12.1 * Tue Aug 10 2021 Orion Poplawski <orion@nwra.com> - 1.8.9-13 - Rebuild for hdf5 1.10.7 * Wed Jul 21 2021 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-12 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild * Mon Jan 25 2021 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-11 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Fri Aug 07 2020 Iñaki Úcar <iucar@fedoraproject.org> - 1.8.9-10 - https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager * Sat Aug 01 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-9 - Second attempt - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Mon Jul 27 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild

Main Site Links:

Information for build CheMPS2-1.8.9-16.fc37