CheMPS2-1.8.3-7.fc28.i686.rpm


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Description

CheMPS2 - A spin-adapted implementation of DMRG for ab initio quantum chemistry

Property Value
Distribution Fedora 28
Repository Fedora i386
Package name CheMPS2
Package version 1.8.3
Package release 7.fc28
Package architecture i686
Package type rpm
Installed size 1.54 MB
Download size 510.48 KB
Official Mirror download-ib01.fedoraproject.org
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.

Alternatives

Package Version Architecture Repository
CheMPS2-1.8.9-1.fc28.i686.rpm 1.8.9 i686 Fedora Updates
CheMPS2-1.8.9-1.fc28.i686.rpm 1.8.9 i686 Fedora Updates
CheMPS2-1.8.9-1.fc28.x86_64.rpm 1.8.9 x86_64 Fedora Updates
CheMPS2-1.8.3-7.fc28.x86_64.rpm 1.8.3 x86_64 Fedora
CheMPS2-1.8.3-7.fc28.i686.rpm 1.8.3 i686 Fedora
CheMPS2 - - -

Requires

Name Value
/sbin/ldconfig -
libc.so.6(GLIBC_2.4) -
libgcc_s.so.1 -
libgcc_s.so.1(GCC_3.0) -
libgcc_s.so.1(GCC_3.3.1) -
libgcc_s.so.1(GLIBC_2.0) -
libgomp.so.1 -
libgomp.so.1(GOMP_1.0) -
libgomp.so.1(GOMP_4.0) -
libgomp.so.1(OMP_1.0) -
libhdf5.so.10 -
libm.so.6 -
libm.so.6(GLIBC_2.0) -
libm.so.6(GLIBC_2.1) -
libstdc++.so.6 -
libstdc++.so.6(CXXABI_1.3) -
libstdc++.so.6(CXXABI_1.3.8) -
libstdc++.so.6(CXXABI_1.3.9) -
libstdc++.so.6(GLIBCXX_3.4) -
libstdc++.so.6(GLIBCXX_3.4.11) -
libstdc++.so.6(GLIBCXX_3.4.20) -
libstdc++.so.6(GLIBCXX_3.4.21) -
libstdc++.so.6(GLIBCXX_3.4.9) -
libtatlas.so.3 -
rtld(GNU_HASH) -

Provides

Name Value
CheMPS2 = 1.8.3-7.fc28
CheMPS2(x86-32) = 1.8.3-7.fc28
libchemps2.so.2 -

Download

Type URL
Binary Package CheMPS2-1.8.3-7.fc28.i686.rpm
Source Package CheMPS2-1.8.3-7.fc28.src.rpm

Install Howto

Install CheMPS2 rpm package:

# dnf install CheMPS2

Files

Path
/usr/bin/chemps2
/usr/lib/libchemps2.so.2
/usr/lib/.build-id/
/usr/lib/.build-id/29/c6925ed081dc2f9fe7a8b07adf1a79a2d0aa3a
/usr/lib/.build-id/40/0dee80312b524a3b73bbe39558b864cd090fd1
/usr/share/doc/CheMPS2/CHANGELOG.md
/usr/share/doc/CheMPS2/FILES.md
/usr/share/doc/CheMPS2/README.md
/usr/share/licenses/CheMPS2/LICENSE
/usr/share/man/man1/chemps2.1.gz

Changelog

2018-02-07 - Fedora Release Engineering <releng@fedoraproject.org> - 1.8.3-7
- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
2017-08-20 - Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 1.8.3-6
- Add Provides for the old name without %_isa
2017-08-19 - Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 1.8.3-5
- Python 2 binary package renamed to python2-chemps2
See https://fedoraproject.org/wiki/FinalizingFedoraSwitchtoPython3
2017-08-02 - Fedora Release Engineering <releng@fedoraproject.org> - 1.8.3-4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
2017-07-26 - Fedora Release Engineering <releng@fedoraproject.org> - 1.8.3-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
2017-02-10 - Fedora Release Engineering <releng@fedoraproject.org> - 1.8.3-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild
2017-02-05 - Susi Lehtola <jussilehtola@fedoraproject.org> - 1.8.3-1
- Update to 1.8.3.
2016-08-29 - Matt Chan <talcite@gmail.com> - 1.8-1
- Updated to 1.8, Updated patches, build shared only
2016-07-19 - Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.7.3-2
- https://fedoraproject.org/wiki/Changes/Automatic_Provides_for_Python_RPM_Packages
2016-07-14 - Matt Chan <talcite@gmail.com> - 1.7.3-1
- Updated to 1.7.3

See Also

Package Description
CheMPS2-devel-1.8.3-7.fc28.i686.rpm Development files for CheMPS2
ClanLib-2.3.7-14.fc28.i686.rpm Cross platform C++ game library
ClanLib-devel-2.3.7-14.fc28.i686.rpm Development Libraries and Headers for ClanLib
ClanLib06-0.6.5-42.fc28.i686.rpm Version 0.6 of this Cross platform C++ game library
ClanLib06-devel-0.6.5-42.fc28.i686.rpm Development Libraries and Headers for ClanLib 0.6
ClanLib1-1.0.0-25.fc27.i686.rpm Cross platform C++ game library
ClanLib1-devel-1.0.0-25.fc27.i686.rpm Development Libraries and Headers for ClanLib
Coin2-2.5.0-33.fc28.i686.rpm High-level 3D visualization library
Coin2-devel-2.5.0-33.fc28.i686.rpm Development files for Coin
Coin3-3.1.3-22.fc28.i686.rpm High-level 3D visualization library
Coin3-devel-3.1.3-22.fc28.i686.rpm Development files for Coin
ColPack-1.0.10-7.fc28.i686.rpm Algorithms for specialized vertex coloring problems
ColPack-cli-1.0.10-7.fc28.i686.rpm CLI-tool for ColPack
ColPack-devel-1.0.10-7.fc28.i686.rpm Development files for ColPack
ColPack-doc-1.0.10-7.fc28.noarch.rpm Documentation files for ColPack
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