-------------------------------------------------------------------------------- Fedora EPEL Update Notification FEDORA-EPEL-2011-2809 2011-03-16 17:49:26 --------------------------------------------------------------------------------

Name : PyQuante Product : Fedora EPEL 5 Version : 1.6.4 Release : 2.el5 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:

Drop dependency on openbabel, which is not available on EL5. --------------------------------------------------------------------------------

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 "Managing Software with yum", available at http://docs.fedoraproject.org/yum/.

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 --------------------------------------------------------------------------------