-------------------------------------------------------------------------------- Fedora Update Notification FEDORA-2010-18389 2010-12-01 21:30:45 --------------------------------------------------------------------------------
Name : PyQuante Product : Fedora 14 Version : 1.6.3 Release : 7.174svn.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. -------------------------------------------------------------------------------- Update Information: Increased value of maximum angular momentum libint can handle to I-type functions. -------------------------------------------------------------------------------- ChangeLog: * Thu Dec 2 2010 Jussi Lehtola <[email protected]> - 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 <[email protected]> - 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 <[email protected]> - 1.6.3-5.174svn - Switch to using an SVN snapshot. - Build against libint. - Run tests. -------------------------------------------------------------------------------- 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 -------------------------------------------------------------------------------- _______________________________________________ package-announce mailing list [email protected] https://admin.fedoraproject.org/mailman/listinfo/package-announce
