Fedora 21 Update: PyQuante-1.6.5-1.fc21

updates at fedoraproject.org updates at fedoraproject.org
Mon Nov 10 06:05:58 UTC 2014

Fedora Update Notification
2014-11-01 15:22:31

Name        : PyQuante
Product     : Fedora 21
Version     : 1.6.5
Release     : 1.fc21
URL         : http://pyquante.sourceforge.net/
Summary     : Python Quantum Chemistry
Description :
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.

Update Information:

Update to 1.6.5, just to fix FTBFS. No functional changes.
Fix broken deps with libint on arm

This update can be installed with the "yum" update program.  Use
su -c 'yum update PyQuante' at the command line.
For more information, refer to "Managing Software with yum",
available at http://docs.fedoraproject.org/yum/.

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