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Fedora EPEL Update Notification
FEDORA-EPEL-2017-7ee8554673
2017-06-08 06:54:18.710132
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Name : PyQuante
Product : Fedora EPEL 6
Version : 1.6.5
Release : 6.el6
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.
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Update Information:
Updates libint to version 1.2.1, entailing no functional changes, only a
licensing change from GPLv2+ to LGPLv3. Rebuild cp2k and PyQuante to adhere to
the modern libint dependency tracking system.
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This update can be installed with the "yum" update programs. Use
su -c 'yum update PyQuante' at the command line.
For more information, refer to "YUM", available at
https://access.redhat.com/documentation/en-US/Red_Hat_Enterprise_Linux/7/...
All packages are signed with the Fedora EPEL GPG key. More details on the
GPG keys used by the Fedora Project can be found at
https://fedoraproject.org/keys
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