Product: Fedora https://bugzilla.redhat.com/show_bug.cgi?id=903380 Bug ID: 903380 Summary: Review Request: libint2 - A library for efficient evaluation of electron repulsion integrals Product: Fedora Version: rawhide Component: Package Review Severity: medium Priority: medium Reporter: susi.lehtola@xxxxxx Spec URL: http://theory.physics.helsinki.fi/~jzlehtol/rpms/libint2.spec SRPM URL: http://theory.physics.helsinki.fi/~jzlehtol/rpms/libint2-2.0.0-1.607hg.fc18.src.rpm Description: LIBINT computes the Coulomb and exchange integrals, which in electronic structure theory are called electron repulsion integrals (ERIs). This is by far the most common type of integrals in molecular structure theory. LIBINT uses recursive schemes that originate in seminal Obara-Saika method and Head-Gordon and Pople’s variation thereof. The idea of LIBINT is to optimize computer implementation of such methods by implementing an optimizing compiler to generate automatically highly-specialized code that runs well on super-scalar architectures. Fedora Account System Username: jussilehtola Libint2 is API incompatible with Libint 1 which is already in Fedora, so that's why there is a need for a new package. -- You are receiving this mail because: You are on the CC list for the bug. Unsubscribe from this bug https://bugzilla.redhat.com/token.cgi?t=bzriO9yOKm&a=cc_unsubscribe _______________________________________________ package-review mailing list package-review@xxxxxxxxxxxxxxxxxxxxxxx https://admin.fedoraproject.org/mailman/listinfo/package-review