Fedora 14 Update: PyQuante-1.6.4-1.fc14
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Fedora Update Notification
FEDORA-2011-0670
2011-01-22 20:08:49
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Name : PyQuante
Product : Fedora 14
Version : 1.6.4
Release : 1.fc14
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:
Update to 1.6.4, switch back to using stable release branch.
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ChangeLog:
* Sat Jan 22 2011 Jussi Lehtola <jussilehtola(a)fedoraproject.org> - 1.6.4-1
- Update to 1.6.4.
- Drop tests from package, since they are run upon build.
* Thu Dec 2 2010 Jussi Lehtola <jussilehtola(a)fedoraproject.org> - 1.6.3-7.174svn
- Rebuild against libint, which was recompiled to support basis sets of
larger angular momentum.
* Wed Dec 1 2010 Jussi Lehtola <jussilehtola(a)fedoraproject.org> - 1.6.3-6.174svn
- Added Requires: openbabel.
- Split libint library in a separate package due to the resulting binary
being GPLv2+ licensed.
* Wed Nov 3 2010 Jussi Lehtola <jussilehtola(a)fedoraproject.org> - 1.6.3-5.174svn
- Switch to using an SVN snapshot.
- Build against libint.
- Run tests.
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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/.
All packages are signed with the Fedora Project 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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