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Summary: Review Request: packmol - Packing Optimization for Molecular Dynamics Simulations https://bugzilla.redhat.com/show_bug.cgi?id=531605 Summary: Review Request: packmol - Packing Optimization for Molecular Dynamics Simulations Product: Fedora Version: rawhide Platform: All OS/Version: Linux Status: NEW Severity: medium Priority: low Component: Package Review AssignedTo: [email protected] ReportedBy: [email protected] QAContact: [email protected] CC: [email protected], [email protected] Estimated Hours: 0.0 Classification: Fedora Spec URL: ftp://dedimarbo.ath.cx/pub/repo/specs/packmol.spec SRPM URL: ftp://dedimarbo.ath.cx/pub/repo/srpms/packmol-0-0.1.02Sep09.fc11.src.rpm Description: Packmol creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space. The packing guarantees that short range repulsive interactions do not disrupt the simulations. The great variety of types of spatial constraints that can be attributed to the molecules, or atoms within the molecules, makes it easy to create ordered systems, such as lamellar, spherical or tubular lipid layers. The user must provide only the coordinates of one molecule of each type, the number of molecules of each type and the spatial constraints that each type of molecule must satisfy. The package is compatible with input files of PDB, TINKER, XYZ and MOLDY formats. --- Hi all, this is my first package and I am seeking a sponsor. I am not the maintener of the mainstream and I sent an email to him who agreed to push the rpm to Fedora. In the spec file the configuration is not made by using the %configure from the autotools as the Configure file is not compatible with it. The compilation is only some fortran code and the mainstream maintener said the compilation flags are ok. rpmlint says on the x86_64, i586 and sprms files : 1 packages and 0 specfiles checked; 0 errors, 0 warnings. -- 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. _______________________________________________ Fedora-package-review mailing list [email protected] http://www.redhat.com/mailman/listinfo/fedora-package-review
