PyQuante-1.6.5-6.el6.x86_64.rpm


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Description

PyQuante - Python Quantum Chemistry

Property Value
Distribution CentOS 6
Repository EPEL x86_64
Package name PyQuante
Package version 1.6.5
Package release 6.el6
Package architecture x86_64
Package type rpm
Installed size 4.80 MB
Download size 1.03 MB
Official Mirror dl.fedoraproject.org
PyQuante is an open-source suite of programs for developing quantum chemistry
methods. The program is written in the Python programming language, but has
many "rate-determining" modules also written in C for speed. The resulting
code, though not as fast as Jaguar, NWChem, Gaussian, or GAMESS, is much
easier to understand and modify. The goal of this software is not necessarily
to provide a working quantum chemistry program (although it will hopefully do
that), but rather to provide a well-engineered set of tools so that scientists
can construct their own quantum chemistry programs without going through the
tedium of having to write every low-level routine.
You might want to install PyQuante-libint as well, which speeds up the
calculation of two-electron integrals.

Alternatives

Package Version Architecture Repository
PyQuante-1.6.5-6.el6.i686.rpm 1.6.5 i686 EPEL
PyQuante - - -

Requires

Name Value
libc.so.6(GLIBC_2.3.4)(64bit) -
libm.so.6()(64bit) -
libm.so.6(GLIBC_2.2.5)(64bit) -
libpthread.so.0()(64bit) -
libpython2.6.so.1.0()(64bit) -
numpy -
openbabel -
python(abi) = 2.6
rtld(GNU_HASH) -

Provides

Name Value
PyQuante = 1.6.5-6.el6
PyQuante(x86-64) = 1.6.5-6.el6

Download

Type URL
Binary Package PyQuante-1.6.5-6.el6.x86_64.rpm
Source Package PyQuante-1.6.5-6.el6.src.rpm

Install Howto

  1. Download latest epel-release rpm from
    http://dl.fedoraproject.org/pub/epel/6/x86_64/
  2. Install epel-release rpm:
    # rpm -Uvh epel-release*rpm
  3. Install PyQuante rpm package:
    # yum install PyQuante

Files

Path
/usr/lib64/python2.6/site-packages/PyQuante/AnalyticDerivatives.py
/usr/lib64/python2.6/site-packages/PyQuante/AnalyticDerivatives.pyc
/usr/lib64/python2.6/site-packages/PyQuante/AnalyticDerivatives.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Atom.py
/usr/lib64/python2.6/site-packages/PyQuante/Atom.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Atom.pyo
/usr/lib64/python2.6/site-packages/PyQuante/AtomicGrid.py
/usr/lib64/python2.6/site-packages/PyQuante/AtomicGrid.pyc
/usr/lib64/python2.6/site-packages/PyQuante/AtomicGrid.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Bunch.py
/usr/lib64/python2.6/site-packages/PyQuante/Bunch.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Bunch.pyo
/usr/lib64/python2.6/site-packages/PyQuante/CGBF.py
/usr/lib64/python2.6/site-packages/PyQuante/CGBF.pyc
/usr/lib64/python2.6/site-packages/PyQuante/CGBF.pyo
/usr/lib64/python2.6/site-packages/PyQuante/CI.py
/usr/lib64/python2.6/site-packages/PyQuante/CI.pyc
/usr/lib64/python2.6/site-packages/PyQuante/CI.pyo
/usr/lib64/python2.6/site-packages/PyQuante/CachedIntindex.py
/usr/lib64/python2.6/site-packages/PyQuante/CachedIntindex.pyc
/usr/lib64/python2.6/site-packages/PyQuante/CachedIntindex.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Constants.py
/usr/lib64/python2.6/site-packages/PyQuante/Constants.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Constants.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Convergence.py
/usr/lib64/python2.6/site-packages/PyQuante/Convergence.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Convergence.pyo
/usr/lib64/python2.6/site-packages/PyQuante/DFunctionals.py
/usr/lib64/python2.6/site-packages/PyQuante/DFunctionals.pyc
/usr/lib64/python2.6/site-packages/PyQuante/DFunctionals.pyo
/usr/lib64/python2.6/site-packages/PyQuante/DFunctionalsOld.py
/usr/lib64/python2.6/site-packages/PyQuante/DFunctionalsOld.pyc
/usr/lib64/python2.6/site-packages/PyQuante/DFunctionalsOld.pyo
/usr/lib64/python2.6/site-packages/PyQuante/DMP.py
/usr/lib64/python2.6/site-packages/PyQuante/DMP.pyc
/usr/lib64/python2.6/site-packages/PyQuante/DMP.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Defaults.py
/usr/lib64/python2.6/site-packages/PyQuante/Defaults.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Defaults.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Dynamics.py
/usr/lib64/python2.6/site-packages/PyQuante/Dynamics.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Dynamics.pyo
/usr/lib64/python2.6/site-packages/PyQuante/EN2.py
/usr/lib64/python2.6/site-packages/PyQuante/EN2.pyc
/usr/lib64/python2.6/site-packages/PyQuante/EN2.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Element.py
/usr/lib64/python2.6/site-packages/PyQuante/Element.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Element.pyo
/usr/lib64/python2.6/site-packages/PyQuante/GridPoint.py
/usr/lib64/python2.6/site-packages/PyQuante/GridPoint.pyc
/usr/lib64/python2.6/site-packages/PyQuante/GridPoint.pyo
/usr/lib64/python2.6/site-packages/PyQuante/HFGF.py
/usr/lib64/python2.6/site-packages/PyQuante/HFGF.pyc
/usr/lib64/python2.6/site-packages/PyQuante/HFGF.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Ints.py
/usr/lib64/python2.6/site-packages/PyQuante/Ints.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Ints.pyo
/usr/lib64/python2.6/site-packages/PyQuante/LA2.py
/usr/lib64/python2.6/site-packages/PyQuante/LA2.pyc
/usr/lib64/python2.6/site-packages/PyQuante/LA2.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Lebedev.py
/usr/lib64/python2.6/site-packages/PyQuante/Lebedev.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Lebedev.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Legendre.py
/usr/lib64/python2.6/site-packages/PyQuante/Legendre.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Legendre.pyo
/usr/lib64/python2.6/site-packages/PyQuante/MG2.py
/usr/lib64/python2.6/site-packages/PyQuante/MG2.pyc
/usr/lib64/python2.6/site-packages/PyQuante/MG2.pyo
/usr/lib64/python2.6/site-packages/PyQuante/MINDO3.py
/usr/lib64/python2.6/site-packages/PyQuante/MINDO3.pyc
/usr/lib64/python2.6/site-packages/PyQuante/MINDO3.pyo
/usr/lib64/python2.6/site-packages/PyQuante/MINDO3_Parameters.py
/usr/lib64/python2.6/site-packages/PyQuante/MINDO3_Parameters.pyc
/usr/lib64/python2.6/site-packages/PyQuante/MINDO3_Parameters.pyo
/usr/lib64/python2.6/site-packages/PyQuante/MP.py
/usr/lib64/python2.6/site-packages/PyQuante/MP.pyc
/usr/lib64/python2.6/site-packages/PyQuante/MP.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Minimizers.py
/usr/lib64/python2.6/site-packages/PyQuante/Minimizers.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Minimizers.pyo
/usr/lib64/python2.6/site-packages/PyQuante/MolecularGrid.py
/usr/lib64/python2.6/site-packages/PyQuante/MolecularGrid.pyc
/usr/lib64/python2.6/site-packages/PyQuante/MolecularGrid.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Molecule.py
/usr/lib64/python2.6/site-packages/PyQuante/Molecule.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Molecule.pyo
/usr/lib64/python2.6/site-packages/PyQuante/NEB.py
/usr/lib64/python2.6/site-packages/PyQuante/NEB.pyc
/usr/lib64/python2.6/site-packages/PyQuante/NEB.pyo
/usr/lib64/python2.6/site-packages/PyQuante/NumWrap.py
/usr/lib64/python2.6/site-packages/PyQuante/NumWrap.pyc
/usr/lib64/python2.6/site-packages/PyQuante/NumWrap.pyo
/usr/lib64/python2.6/site-packages/PyQuante/OEP.py
/usr/lib64/python2.6/site-packages/PyQuante/OEP.pyc
/usr/lib64/python2.6/site-packages/PyQuante/OEP.pyo
/usr/lib64/python2.6/site-packages/PyQuante/PGBF.py
/usr/lib64/python2.6/site-packages/PyQuante/PGBF.pyc
/usr/lib64/python2.6/site-packages/PyQuante/PGBF.pyo
/usr/lib64/python2.6/site-packages/PyQuante/PyQuante2.py
/usr/lib64/python2.6/site-packages/PyQuante/PyQuante2.pyc
/usr/lib64/python2.6/site-packages/PyQuante/PyQuante2.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Slater.py
/usr/lib64/python2.6/site-packages/PyQuante/Slater.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Slater.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Solvers.py
/usr/lib64/python2.6/site-packages/PyQuante/Solvers.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Solvers.pyo
/usr/lib64/python2.6/site-packages/PyQuante/TestMolecules.py
/usr/lib64/python2.6/site-packages/PyQuante/TestMolecules.pyc
/usr/lib64/python2.6/site-packages/PyQuante/TestMolecules.pyo
/usr/lib64/python2.6/site-packages/PyQuante/ThomasFermi.py
/usr/lib64/python2.6/site-packages/PyQuante/ThomasFermi.pyc
/usr/lib64/python2.6/site-packages/PyQuante/ThomasFermi.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Util.py
/usr/lib64/python2.6/site-packages/PyQuante/Util.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Util.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Wavefunction.py
/usr/lib64/python2.6/site-packages/PyQuante/Wavefunction.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Wavefunction.pyo
/usr/lib64/python2.6/site-packages/PyQuante/__init__.py
/usr/lib64/python2.6/site-packages/PyQuante/__init__.pyc
/usr/lib64/python2.6/site-packages/PyQuante/__init__.pyo
/usr/lib64/python2.6/site-packages/PyQuante/chgp.so
/usr/lib64/python2.6/site-packages/PyQuante/cints.so
/usr/lib64/python2.6/site-packages/PyQuante/contracted_gto.so
/usr/lib64/python2.6/site-packages/PyQuante/crys.so
/usr/lib64/python2.6/site-packages/PyQuante/dft.py
/usr/lib64/python2.6/site-packages/PyQuante/dft.pyc
/usr/lib64/python2.6/site-packages/PyQuante/dft.pyo
/usr/lib64/python2.6/site-packages/PyQuante/fermi_dirac.py
/usr/lib64/python2.6/site-packages/PyQuante/fermi_dirac.pyc
/usr/lib64/python2.6/site-packages/PyQuante/fermi_dirac.pyo
/usr/lib64/python2.6/site-packages/PyQuante/force.py
/usr/lib64/python2.6/site-packages/PyQuante/force.pyc
/usr/lib64/python2.6/site-packages/PyQuante/force.pyo
/usr/lib64/python2.6/site-packages/PyQuante/hartree_fock.py
/usr/lib64/python2.6/site-packages/PyQuante/hartree_fock.pyc
/usr/lib64/python2.6/site-packages/PyQuante/hartree_fock.pyo
/usr/lib64/python2.6/site-packages/PyQuante/hgp.py
/usr/lib64/python2.6/site-packages/PyQuante/hgp.pyc
/usr/lib64/python2.6/site-packages/PyQuante/hgp.pyo
/usr/lib64/python2.6/site-packages/PyQuante/leapfrog.py
/usr/lib64/python2.6/site-packages/PyQuante/leapfrog.pyc
/usr/lib64/python2.6/site-packages/PyQuante/leapfrog.pyo
/usr/lib64/python2.6/site-packages/PyQuante/logger.py
/usr/lib64/python2.6/site-packages/PyQuante/logger.pyc
/usr/lib64/python2.6/site-packages/PyQuante/logger.pyo
/usr/lib64/python2.6/site-packages/PyQuante/optimize.py
/usr/lib64/python2.6/site-packages/PyQuante/optimize.pyc
/usr/lib64/python2.6/site-packages/PyQuante/optimize.pyo
/usr/lib64/python2.6/site-packages/PyQuante/pressure.py
/usr/lib64/python2.6/site-packages/PyQuante/pressure.pyc
/usr/lib64/python2.6/site-packages/PyQuante/pressure.pyo
/usr/lib64/python2.6/site-packages/PyQuante/primitive_gto.so
/usr/lib64/python2.6/site-packages/PyQuante/pyints.py
/usr/lib64/python2.6/site-packages/PyQuante/pyints.pyc
/usr/lib64/python2.6/site-packages/PyQuante/pyints.pyo
/usr/lib64/python2.6/site-packages/PyQuante/qmmd.py
/usr/lib64/python2.6/site-packages/PyQuante/qmmd.pyc
/usr/lib64/python2.6/site-packages/PyQuante/qmmd.pyo
/usr/lib64/python2.6/site-packages/PyQuante/rohf.py
/usr/lib64/python2.6/site-packages/PyQuante/rohf.pyc
/usr/lib64/python2.6/site-packages/PyQuante/rohf.pyo
/usr/lib64/python2.6/site-packages/PyQuante/rys.py
/usr/lib64/python2.6/site-packages/PyQuante/rys.pyc
/usr/lib64/python2.6/site-packages/PyQuante/rys.pyo
/usr/lib64/python2.6/site-packages/PyQuante/settings.py
/usr/lib64/python2.6/site-packages/PyQuante/settings.pyc
/usr/lib64/python2.6/site-packages/PyQuante/settings.pyo
/usr/lib64/python2.6/site-packages/PyQuante/shell.so
/usr/lib64/python2.6/site-packages/PyQuante-1.6.5-py2.6.egg-info/PKG-INFO
/usr/lib64/python2.6/site-packages/PyQuante-1.6.5-py2.6.egg-info/SOURCES.txt
/usr/lib64/python2.6/site-packages/PyQuante-1.6.5-py2.6.egg-info/dependency_links.txt
/usr/lib64/python2.6/site-packages/PyQuante-1.6.5-py2.6.egg-info/top_level.txt
/usr/lib64/python2.6/site-packages/PyQuante/Basis/Tools.py
/usr/lib64/python2.6/site-packages/PyQuante/Basis/Tools.pyc
/usr/lib64/python2.6/site-packages/PyQuante/Basis/Tools.pyo
/usr/lib64/python2.6/site-packages/PyQuante/Basis/__init__.py
/usr/lib64/python2.6/site-packages/PyQuante/Basis/__init__.pyc
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/usr/lib64/python2.6/site-packages/PyQuante/IO/Matlab.py
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/usr/lib64/python2.6/site-packages/PyQuante/IO/Matlab.pyo
/usr/lib64/python2.6/site-packages/PyQuante/IO/Molf.py
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/usr/lib64/python2.6/site-packages/PyQuante/IO/Molf.pyo
/usr/lib64/python2.6/site-packages/PyQuante/IO/OpenBabelBackend.py
/usr/lib64/python2.6/site-packages/PyQuante/IO/OpenBabelBackend.pyc
/usr/lib64/python2.6/site-packages/PyQuante/IO/OpenBabelBackend.pyo
/usr/lib64/python2.6/site-packages/PyQuante/IO/PyQuanteBackend.py
/usr/lib64/python2.6/site-packages/PyQuante/IO/PyQuanteBackend.pyc
/usr/lib64/python2.6/site-packages/PyQuante/IO/PyQuanteBackend.pyo
/usr/lib64/python2.6/site-packages/PyQuante/IO/XYZ.py
/usr/lib64/python2.6/site-packages/PyQuante/IO/XYZ.pyc
/usr/lib64/python2.6/site-packages/PyQuante/IO/XYZ.pyo
/usr/lib64/python2.6/site-packages/PyQuante/IO/__init__.py
/usr/lib64/python2.6/site-packages/PyQuante/IO/__init__.pyc
/usr/lib64/python2.6/site-packages/PyQuante/IO/__init__.pyo
/usr/lib64/python2.6/site-packages/PyQuante/IO/FormatHandlers/CML.py
/usr/lib64/python2.6/site-packages/PyQuante/IO/FormatHandlers/CML.pyc
/usr/lib64/python2.6/site-packages/PyQuante/IO/FormatHandlers/CML.pyo
/usr/lib64/python2.6/site-packages/PyQuante/IO/FormatHandlers/HandlerList.py
/usr/lib64/python2.6/site-packages/PyQuante/IO/FormatHandlers/HandlerList.pyc
/usr/lib64/python2.6/site-packages/PyQuante/IO/FormatHandlers/HandlerList.pyo
/usr/lib64/python2.6/site-packages/PyQuante/IO/FormatHandlers/XYZ.py
/usr/lib64/python2.6/site-packages/PyQuante/IO/FormatHandlers/XYZ.pyc
/usr/lib64/python2.6/site-packages/PyQuante/IO/FormatHandlers/XYZ.pyo
/usr/lib64/python2.6/site-packages/PyQuante/IO/FormatHandlers/__init__.py
/usr/lib64/python2.6/site-packages/PyQuante/IO/FormatHandlers/__init__.pyc
/usr/lib64/python2.6/site-packages/PyQuante/IO/FormatHandlers/__init__.pyo
/usr/share/doc/PyQuante-1.6.5/LICENSE
/usr/share/doc/PyQuante-1.6.5/README

Changelog

2017-02-10 - Fedora Release Engineering <releng@fedoraproject.org> - 1.6.5-6
- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild
2016-07-19 - Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.6.5-5
- https://fedoraproject.org/wiki/Changes/Automatic_Provides_for_Python_RPM_Packages
2016-02-03 - Fedora Release Engineering <releng@fedoraproject.org> - 1.6.5-4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild
2015-06-16 - Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.6.5-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild
2015-05-02 - Kalev Lember <kalevlember@gmail.com> - 1.6.5-2
- Rebuilt for GCC 5 C++11 ABI change
2014-10-27 - Susi Lehtola <jussilehtola@fedoraproject.org> - 1.6.5-1
- Update to 1.6.5.
2014-10-16 - Pierre-Yves Chibon <pingou@pingoured.fr> - 1.6.4-13
- rebuilt to fix broken deps
2014-09-09 - Susi Lehtola <jussilehtola@fedoraproject.org> - 1.6.4-12
- Switch to requiring libint api version.
2014-08-15 - Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.6.4-11.1
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild
2014-07-01 - Susi Lehtola <jussilehtola@fedoraproject.org> - 1.6.4-10.1
- Rebuild due to rebuilt libint.

See Also

Package Description
PyQuante-libint-1.6.5-6.el6.x86_64.rpm Libint integration to PyQuante
PyQwt-5.2.0-11.el6.x86_64.rpm Python bindings for Qwt
PyQwt-devel-5.2.0-11.el6.i686.rpm Files needed to build other bindings on PyQwt
PyQwt-devel-5.2.0-11.el6.x86_64.rpm Files needed to build other bindings on PyQwt
PyXB-1.1.2-1.el6.noarch.rpm Python XML Schema Bindings
QMsgBox-0-1.20130830git94677dc.el6.i686.rpm Solves a problem that prevents qt message icons from being displayed
QMsgBox-0-1.20130830git94677dc.el6.x86_64.rpm Solves a problem that prevents qt message icons from being displayed
QMsgBox-devel-0-1.20130830git94677dc.el6.i686.rpm Development headers and libraries for QMsgBox
QMsgBox-devel-0-1.20130830git94677dc.el6.x86_64.rpm Development headers and libraries for QMsgBox
QsLog-0-3.54hg.el6.i686.rpm An easy to use logger that is based on Qt's QDebug class
QsLog-0-3.54hg.el6.x86_64.rpm An easy to use logger that is based on Qt's QDebug class
QsLog-devel-0-3.54hg.el6.i686.rpm Development headers and library for QsLog
QsLog-devel-0-3.54hg.el6.x86_64.rpm Development headers and library for QsLog
QuantLib-1.0.1-3.el6.i686.rpm A software framework for quantitative finance
QuantLib-1.0.1-3.el6.x86_64.rpm A software framework for quantitative finance
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