Index index by Group index by Distribution index by Vendor index by creation date index by Name Mirrors Help Search

CheMPS2-1.8.9-30.fc44 RPM for s390x

From Fedora Rawhide for s390x / c

Name: CheMPS2 Distribution: Fedora Project
Version: 1.8.9 Vendor: Fedora Project
Release: 30.fc44 Build date: Fri Aug 22 18:17:38 2025
Group: Unspecified Build host: buildvm-s390x-20.s390.fedoraproject.org
Size: 1681119 Source RPM: CheMPS2-1.8.9-30.fc44.src.rpm
Packager: Fedora Project
Url: https://github.com/SebWouters/CheMPS2
Summary: A spin-adapted implementation of DMRG for ab initio quantum chemistry
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.

Provides

Requires

License

GPL-2.0-or-later

Changelog

* Fri Aug 22 2025 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.8.9-30
  - Fix broken patch from 1.8.9-28
* Wed Jul 23 2025 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-29
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild
* Thu May 15 2025 Cristian Le <git@lecris.dev> - 1.8.9-28
  - Add an upstream patch to build with CMake 4.0
* Tue May 06 2025 Cristian Le <git@lecris.dev> - 1.8.9-27
  - Allow CMake 4.0 build
* Thu Jan 16 2025 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-26
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild
* Fri Oct 25 2024 Orion Poplawski <orion@nwra.com> - 1.8.9-25
  - Rebuild for hdf5 1.14.5
* Fri Jul 26 2024 Miroslav Suchý <msuchy@redhat.com> - 1.8.9-24
  - convert license to SPDX
* Wed Jul 17 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-23
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild
* Mon Jan 22 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-22
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Fri Jan 19 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-21
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Thu Jan 18 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-20
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild

Files

/usr/bin/chemps2
/usr/lib/.build-id
/usr/lib/.build-id/9d
/usr/lib/.build-id/9d/55246523d5e3413757b9f101dc81402bfc1dcd
/usr/lib/.build-id/b2
/usr/lib/.build-id/b2/415e2192c595c1c1d6b21cbc7d969af42c1647
/usr/lib64/libchemps2.so.3
/usr/share/doc/CheMPS2
/usr/share/doc/CheMPS2/CHANGELOG.md
/usr/share/doc/CheMPS2/FILES.md
/usr/share/doc/CheMPS2/README.md
/usr/share/licenses/CheMPS2
/usr/share/licenses/CheMPS2/LICENSE
/usr/share/man/man1/chemps2.1.gz


Generated by rpm2html 1.8.1

Fabrice Bellet, Sat Aug 23 23:47:16 2025