PyQuante-1.6.5-12.fc29.i686.rpm


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Description

PyQuante - Python Quantum Chemistry

Property Value
Distribution Fedora 29
Repository Fedora i386
Package name PyQuante
Package version 1.6.5
Package release 12.fc29
Package architecture i686
Package type rpm
Installed size 4.80 MB
Download size 959.00 KB
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-1.6.5-12.fc29.x86_64.rpm 1.6.5 x86_64 Fedora
PyQuante - - -

Requires

Name Value
libc.so.6(GLIBC_2.4) -
libm.so.6 -
libm.so.6(GLIBC_2.0) -
libm.so.6(GLIBC_2.23) -
libpthread.so.0 -
libpython2.7.so.1.0 -
openbabel -
python(abi) = 2.7
python2-numpy -
rtld(GNU_HASH) -

Provides

Name Value
PyQuante = 1.6.5-12.fc29
PyQuante(x86-32) = 1.6.5-12.fc29
python2.7dist(pyquante) = 1.6.5
python2dist(pyquante) = 1.6.5

Download

Type URL
Binary Package PyQuante-1.6.5-12.fc29.i686.rpm
Source Package PyQuante-1.6.5-12.fc29.src.rpm

Install Howto

Install PyQuante rpm package:

# dnf install PyQuante

Files

Path
/usr/lib/.build-id/
/usr/lib/.build-id/22/7a2bd4d7a5e7d0e1a4c5339fd289cdb03b34c9
/usr/lib/.build-id/24/201ee6a2c58653478a7b2533228d781dd09be3
/usr/lib/.build-id/3f/dff2df0b6524257ed0ff70785f60cacfa2c218
/usr/lib/.build-id/5e/015c2dff126697cc688fd2d8e928d600d328ec
/usr/lib/.build-id/a5/961f50e45559041986be252a920dafd509e8a7
/usr/lib/.build-id/e1/4951ce96085aef2048ecb1c152926054547630
/usr/lib/.build-id/ff/1a0596cfe54ae5037bffc7608a2935e43d3775
/usr/lib/python2.7/site-packages/PyQuante/AnalyticDerivatives.py
/usr/lib/python2.7/site-packages/PyQuante/AnalyticDerivatives.pyc
/usr/lib/python2.7/site-packages/PyQuante/AnalyticDerivatives.pyo
/usr/lib/python2.7/site-packages/PyQuante/Atom.py
/usr/lib/python2.7/site-packages/PyQuante/Atom.pyc
/usr/lib/python2.7/site-packages/PyQuante/Atom.pyo
/usr/lib/python2.7/site-packages/PyQuante/AtomicGrid.py
/usr/lib/python2.7/site-packages/PyQuante/AtomicGrid.pyc
/usr/lib/python2.7/site-packages/PyQuante/AtomicGrid.pyo
/usr/lib/python2.7/site-packages/PyQuante/Bunch.py
/usr/lib/python2.7/site-packages/PyQuante/Bunch.pyc
/usr/lib/python2.7/site-packages/PyQuante/Bunch.pyo
/usr/lib/python2.7/site-packages/PyQuante/CGBF.py
/usr/lib/python2.7/site-packages/PyQuante/CGBF.pyc
/usr/lib/python2.7/site-packages/PyQuante/CGBF.pyo
/usr/lib/python2.7/site-packages/PyQuante/CI.py
/usr/lib/python2.7/site-packages/PyQuante/CI.pyc
/usr/lib/python2.7/site-packages/PyQuante/CI.pyo
/usr/lib/python2.7/site-packages/PyQuante/CachedIntindex.py
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/usr/lib/python2.7/site-packages/PyQuante/Constants.py
/usr/lib/python2.7/site-packages/PyQuante/Constants.pyc
/usr/lib/python2.7/site-packages/PyQuante/Constants.pyo
/usr/lib/python2.7/site-packages/PyQuante/Convergence.py
/usr/lib/python2.7/site-packages/PyQuante/Convergence.pyc
/usr/lib/python2.7/site-packages/PyQuante/Convergence.pyo
/usr/lib/python2.7/site-packages/PyQuante/DFunctionals.py
/usr/lib/python2.7/site-packages/PyQuante/DFunctionals.pyc
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/usr/lib/python2.7/site-packages/PyQuante/DFunctionalsOld.py
/usr/lib/python2.7/site-packages/PyQuante/DFunctionalsOld.pyc
/usr/lib/python2.7/site-packages/PyQuante/DFunctionalsOld.pyo
/usr/lib/python2.7/site-packages/PyQuante/DMP.py
/usr/lib/python2.7/site-packages/PyQuante/DMP.pyc
/usr/lib/python2.7/site-packages/PyQuante/DMP.pyo
/usr/lib/python2.7/site-packages/PyQuante/Defaults.py
/usr/lib/python2.7/site-packages/PyQuante/Defaults.pyc
/usr/lib/python2.7/site-packages/PyQuante/Defaults.pyo
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/usr/lib/python2.7/site-packages/PyQuante/Element.pyo
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/usr/lib/python2.7/site-packages/PyQuante/HFGF.py
/usr/lib/python2.7/site-packages/PyQuante/HFGF.pyc
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/usr/lib/python2.7/site-packages/PyQuante/MG2.py
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/usr/lib/python2.7/site-packages/PyQuante/Minimizers.py
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/usr/lib/python2.7/site-packages/PyQuante/PGBF.py
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/usr/lib/python2.7/site-packages/PyQuante/Slater.pyo
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/usr/lib/python2.7/site-packages/PyQuante/Solvers.pyc
/usr/lib/python2.7/site-packages/PyQuante/Solvers.pyo
/usr/lib/python2.7/site-packages/PyQuante/TestMolecules.py
/usr/lib/python2.7/site-packages/PyQuante/TestMolecules.pyc
/usr/lib/python2.7/site-packages/PyQuante/TestMolecules.pyo
/usr/lib/python2.7/site-packages/PyQuante/ThomasFermi.py
/usr/lib/python2.7/site-packages/PyQuante/ThomasFermi.pyc
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/usr/lib/python2.7/site-packages/PyQuante/settings.pyc
/usr/lib/python2.7/site-packages/PyQuante/settings.pyo
/usr/lib/python2.7/site-packages/PyQuante/shell.so
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/usr/lib/python2.7/site-packages/PyQuante-1.6.5-py2.7.egg-info/dependency_links.txt
/usr/lib/python2.7/site-packages/PyQuante-1.6.5-py2.7.egg-info/top_level.txt
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/usr/lib/python2.7/site-packages/PyQuante/IO/OpenBabelBackend.pyc
/usr/lib/python2.7/site-packages/PyQuante/IO/OpenBabelBackend.pyo
/usr/lib/python2.7/site-packages/PyQuante/IO/PyQuanteBackend.py
/usr/lib/python2.7/site-packages/PyQuante/IO/PyQuanteBackend.pyc
/usr/lib/python2.7/site-packages/PyQuante/IO/PyQuanteBackend.pyo
/usr/lib/python2.7/site-packages/PyQuante/IO/XYZ.py
/usr/lib/python2.7/site-packages/PyQuante/IO/XYZ.pyc
/usr/lib/python2.7/site-packages/PyQuante/IO/XYZ.pyo
/usr/lib/python2.7/site-packages/PyQuante/IO/__init__.py
/usr/lib/python2.7/site-packages/PyQuante/IO/__init__.pyc
/usr/lib/python2.7/site-packages/PyQuante/IO/__init__.pyo
/usr/lib/python2.7/site-packages/PyQuante/IO/FormatHandlers/CML.py
/usr/lib/python2.7/site-packages/PyQuante/IO/FormatHandlers/CML.pyc
/usr/lib/python2.7/site-packages/PyQuante/IO/FormatHandlers/CML.pyo
/usr/lib/python2.7/site-packages/PyQuante/IO/FormatHandlers/HandlerList.py
/usr/lib/python2.7/site-packages/PyQuante/IO/FormatHandlers/HandlerList.pyc
/usr/lib/python2.7/site-packages/PyQuante/IO/FormatHandlers/HandlerList.pyo
/usr/lib/python2.7/site-packages/PyQuante/IO/FormatHandlers/XYZ.py
/usr/lib/python2.7/site-packages/PyQuante/IO/FormatHandlers/XYZ.pyc
/usr/lib/python2.7/site-packages/PyQuante/IO/FormatHandlers/XYZ.pyo
/usr/lib/python2.7/site-packages/PyQuante/IO/FormatHandlers/__init__.py
/usr/lib/python2.7/site-packages/PyQuante/IO/FormatHandlers/__init__.pyc
/usr/lib/python2.7/site-packages/PyQuante/IO/FormatHandlers/__init__.pyo
/usr/share/doc/PyQuante/LICENSE
/usr/share/doc/PyQuante/README

Changelog

2018-02-28 - Susi Lehtola <jussilehtola@fedoraproject.org> - 1.6.5-12
- Added gcc buildrequires.
2018-02-14 - Iryna Shcherbina <ishcherb@redhat.com> - 1.6.5-11
- Update Python 2 dependency declarations to new packaging standards
(See https://fedoraproject.org/wiki/FinalizingFedoraSwitchtoPython3)
2018-02-07 - Fedora Release Engineering <releng@fedoraproject.org> - 1.6.5-10
- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
2017-08-02 - Fedora Release Engineering <releng@fedoraproject.org> - 1.6.5-9
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
2017-07-26 - Fedora Release Engineering <releng@fedoraproject.org> - 1.6.5-8
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
2017-07-07 - Igor Gnatenko <ignatenko@redhat.com> - 1.6.5-7
- Rebuild due to bug in RPM (RHBZ #1468476)
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

See Also

Package Description
PyQuante-libint-1.6.5-12.fc29.i686.rpm Libint integration to PyQuante
PyQwt-5.2.0-40.fc29.i686.rpm Python bindings for Qwt
PyQwt-devel-5.2.0-40.fc29.i686.rpm Files needed to build other bindings on PyQwt
PyRTF-0.45-25.fc29.noarch.rpm Rich Text Format (RTF) Document Generation in Python
PySBIG-0.04-21.fc28.i686.rpm PySBIG can read SBIG CCD files
PySolFC-2.0-17.fc28.noarch.rpm A collection of solitare card games
PySolFC-cardsets-2.0-15.fc29.noarch.rpm Various cardsets for PySolFC
PySolFC-music-4.40-18.fc29.noarch.rpm Music for PySolFC
PyX-0.14.1-10.fc29.i686.rpm Python graphics package
PyX-doc-0.14.1-10.fc29.noarch.rpm Documentation for PyX
Pyrex-0.9.9-18.fc29.noarch.rpm A compiler/language for writing Python extension modules
PythonCard-0.8.2-21.fc29.noarch.rpm PythonCard GUI construction toolkit
QMsgBox-0-14.20130830git94677dc.fc29.i686.rpm Solves a problem that prevents qt message icons from being displayed
QMsgBox-devel-0-14.20130830git94677dc.fc29.i686.rpm Development libraries for QMsgBox
QMsgBox-headers-0-14.20130830git94677dc.fc29.noarch.rpm Development headers for QMsgBox
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