Please do not reply directly to this email. All additional comments should be made in the comments box of this bug. Summary: Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations https://bugzilla.redhat.com/show_bug.cgi?id=760645 Summary: Review Request: ergo - A quantum chemistry program for large-scale self-consistent field calculations Product: Fedora Version: rawhide Platform: All OS/Version: Linux Status: NEW Severity: medium Priority: unspecified Component: Package Review AssignedTo: nobody@xxxxxxxxxxxxxxxxx ReportedBy: marbolangos@xxxxxxxxx QAContact: extras-qa@xxxxxxxxxxxxxxxxx CC: notting@xxxxxxxxxx, package-review@xxxxxxxxxxxxxxxxxxxxxxx Classification: Fedora Story Points: --- Type: --- Spec URL: ftp://dedimarbo.ath.cx/pub/repo/specs/ergo.spec SRPM URL (F16): ftp://dedimarbo.ath.cx/pub/repo/srpms/ergo-3.1-1.fc16.src.rpm SRPM URL (EL6): ftp://dedimarbo.ath.cx/pub/repo/srpms/ergo-3.1-1.el6.src.rpm Description: Key features of the Ergo program: Performs electronic structure calculations using Hartree-Fock and Kohn-Sham density functional theory. - Written in C++. - Uses Gaussian basis sets. - Both core and valence electrons are included in the calculations. - Both restricted and unrestricted models are implemented for energy calculations. - Implements a broad range of both pure and hybrid Kohn-Sham density functionals. - Employs modern linear scaling techniques like fast multipole methods, hierarchic sparse matrix algebra, density matrix purification, and efficient integral screening. - Linear scaling is achieved not only in terms of CPU usage but also memory utilization. - The time consuming parts of the code are currently parallelized using the shared-memory paradigm. Here are the different rpmlint: $ rpmlint ergo-3.1-1.fc16.x86_64.rpm ergo.x86_64: W: spelling-error %description -l en_US functionals -> functional, functional s, functionary ergo.x86_64: W: spelling-error %description -l en_US multipole -> multiple ergo.x86_64: W: spelling-error %description -l en_US parallelized -> paralleled, palatalized, pluralized ergo.x86_64: W: no-manual-page-for-binary bin2m ergo.x86_64: W: no-manual-page-for-binary ergo 1 packages and 0 specfiles checked; 0 errors, 5 warnings. $ rpmlint ergo-debuginfo-3.1-1.fc16.x86_64.rpm 1 packages and 0 specfiles checked; 0 errors, 0 warnings. $ rpmlint ergo-3.1-1.fc16.src.rpm ergo.src: W: spelling-error %description -l en_US functionals -> functional, functional s, functionary ergo.src: W: spelling-error %description -l en_US multipole -> multiple ergo.src: W: spelling-error %description -l en_US parallelized -> paralleled, palatalized, pluralized 1 packages and 0 specfiles checked; 0 errors, 3 warnings. Concerning the man-pages, I am in touch with the developers and they planned to add it in the next version of the software. All spelling given are wrong. This is the vocabulary in quantum chemistry. -- Configure bugmail: https://bugzilla.redhat.com/userprefs.cgi?tab=email ------- You are receiving this mail because: ------- You are on the CC list for the bug. _______________________________________________ package-review mailing list package-review@xxxxxxxxxxxxxxxxxxxxxxx https://admin.fedoraproject.org/mailman/listinfo/package-review