CheMPS2-1.8.3-2.fc26.i686.rpm


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Description

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

Property Value
Distribution Fedora 26
Repository Fedora x86_64
Package name CheMPS2
Package version 1.8.3
Package release 2.fc26
Package architecture i686
Package type rpm
Installed size 1.44 MB
Download size 507.43 KB
Official Mirror archives.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
CheMPS2-1.8.3-2.fc26.x86_64.rpm 1.8.3 x86_64 Fedora
CheMPS2-1.8.3-2.fc26.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 = 1.8.3-2.fc26
CheMPS2(x86-32) = 1.8.3-2.fc26
libchemps2.so.2 -

Download

Type URL
Binary Package CheMPS2-1.8.3-2.fc26.i686.rpm
Source Package CheMPS2-1.8.3-2.fc26.src.rpm

Install Howto

Install the CheMPS2 rpm package:

# dnf install CheMPS2

Files

Path
/usr/bin/chemps2
/usr/lib/libchemps2.so.2
/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

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
2016-06-15 - Matt Chan <talcite@gmail.com> - 1.7.2-1
- Updated to 1.7.2
2016-06-15 - Matt Chan <talcite@gmail.com> - 1.7-4
- Added patch, cleaned up specfile
2016-06-15 - Matt Chan <talcite@gmail.com> - 1.7-3
- Changed CXX flags, changed BR
2016-06-14 - Matt Chan <talcite@gmail.com> - 1.7-2
- Changed to follow packaging guidelines
- Added zlib for RHEL6 compatibility
2016-06-11 - Matt Chan <talcite@gmail.com> - 1.7-1
- Initial build

See Also

Package Description
CheMPS2-devel-1.8.3-2.fc26.i686.rpm Development files for CheMPS2
CheMPS2-devel-1.8.3-2.fc26.x86_64.rpm Development files for CheMPS2
CheMPS2-python-1.8.3-2.fc26.x86_64.rpm Python bindings for CheMPS2
ClanLib-2.3.7-11.fc26.i686.rpm Cross platform C++ game library
ClanLib-2.3.7-11.fc26.x86_64.rpm Cross platform C++ game library
ClanLib-devel-2.3.7-11.fc26.i686.rpm Development Libraries and Headers for ClanLib
ClanLib-devel-2.3.7-11.fc26.x86_64.rpm Development Libraries and Headers for ClanLib
ClanLib06-0.6.5-39.fc26.i686.rpm Version 0.6 of this Cross platform C++ game library
ClanLib06-0.6.5-39.fc26.x86_64.rpm Version 0.6 of this Cross platform C++ game library
ClanLib06-devel-0.6.5-39.fc26.i686.rpm Development Libraries and Headers for ClanLib 0.6
ClanLib06-devel-0.6.5-39.fc26.x86_64.rpm Development Libraries and Headers for ClanLib 0.6
ClanLib1-1.0.0-23.fc26.i686.rpm Cross platform C++ game library
ClanLib1-1.0.0-23.fc26.x86_64.rpm Cross platform C++ game library
ClanLib1-devel-1.0.0-23.fc26.i686.rpm Development Libraries and Headers for ClanLib
ClanLib1-devel-1.0.0-23.fc26.x86_64.rpm Development Libraries and Headers for ClanLib
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