https://bugzilla.redhat.com/show_bug.cgi?id=1107800 Bug ID: 1107800 Summary: Review Request: dl_poly - General purpose classical molecular dynamics (MD) simulation Product: Fedora Version: rawhide Component: Package Review Severity: medium Assignee: nobody@xxxxxxxxxxxxxxxxx Reporter: d.love@xxxxxxxxx QA Contact: extras-qa@xxxxxxxxxxxxxxxxx CC: package-review@xxxxxxxxxxxxxxxxxxxxxxx Spec URL: http://arc.liv.ac.uk/downloads/misc/SPECS/dl_poly.spec SRPM URL: http://arc.liv.ac.uk/downloads/misc/SRPMS/dl_poly-1.9.20140324-1.el6.src.rpm Description: DL_POLY Classic is a general purpose molecular dynamics simulation package developed at Daresbury Laboratory by W. Smith, T.R. Forester and I.T. Todorov. It is based on the package DL_POLY_2, which was originally developed by the Computational Chemistry Group, (CCG) at Daresbury Laboratory under the auspices of the Engineering and Physical Sciences Research Council (EPSRC) for (CCP5), the EPSRC's Collaborative Computational Project for the Computer Simulation of Condensed Phases. DL_POLY Classic can be executed as a serial or a parallel application. The code achieves parallelisation using the Replicated Data strategy which is suitable for homogeneous, distributed-memory, parallel computers. The code is useful for simulations of up to 30,000 atoms with good parallel performance on up to 100 processors, though in some circumstances it can exceed or fail to reach these limits. Fedora Account System Username: loveshack koji scratch build: https://koji.fedoraproject.org/koji/taskinfo?taskID=6926892 (from an srpm with only cosmetic differences) I'm waiting for sponsorship, but thought I'd put this in for review to make sure I've DTRT with an MPI package. -- You are receiving this mail because: You are on the CC list for the bug. You are always notified about changes to this product and component _______________________________________________ package-review mailing list package-review@xxxxxxxxxxxxxxxxxxxxxxx https://admin.fedoraproject.org/mailman/listinfo/package-review