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| Name: dl_poly-openmpi | Distribution: Fedora Project |
| Version: 1.9.20140324 | Vendor: Fedora Project |
| Release: 19.el7 | Build date: Wed Dec 5 15:02:52 2018 |
| Group: Unspecified | Build host: buildvm-ppc64le-09.ppc.fedoraproject.org |
| Size: 2433728 | Source RPM: dl_poly-1.9.20140324-19.el7.src.rpm |
| Packager: Fedora Project | |
| Url: http://www.ccp5.ac.uk/DL_POLY_CLASSIC/ | |
| Summary: General purpose classical molecular dynamics (MD) simulation - openmpi version | |
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. Reference: I.T. Todorov, W. Smith, K. Trachenko & M.T. Dove, Journal of Materials Chemistry, (2006) 16, 1911-1918 This is a parallel version using openmpi.
BSD
* Tue Dec 04 2018 Dave Love <loveshack@fedoraproject.org> - 1.9.20140324-19 - Add openmpi3 variant * Sun Feb 05 2017 Kalev Lember <klember@redhat.com> - 1.9.20140324-18 - Rebuilt for libgfortran soname bump * Fri Oct 21 2016 Orion Poplawski <orion@cora.nwra.com> - 1.9.20140324-17 - Rebuild for openmpi 2.0 * Wed Feb 03 2016 Fedora Release Engineering <releng@fedoraproject.org> - 1.9.20140324-16 - Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild * Tue Sep 15 2015 Orion Poplawski <orion@cora.nwra.com> - 1.9.20140324-15 - Rebuild for openmpi 1.10.0 * Sat Aug 15 2015 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 1.9.20140324-14 - Rebuild for MPI provides * Mon Jul 27 2015 Sandro Mani <manisandro@gmail.com> - 1.9.20140324-13 - Rebuild for RPM MPI Requires Provides Change * Wed Jun 17 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.9.20140324-12 - Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild * Wed Mar 18 2015 Dave Love <d.love@liverpool.ac.uk> - 1.9.20140324-11 - Rebuild for mpich change * Sun Feb 22 2015 Dave Love <d.love@liverpool.ac.uk> - 1.9.20140324-10 - Drop java minimum version (for ppc64 el6) * Fri Feb 20 2015 Dave Love <d.love@liverpool.ac.uk> - 1.9.20140324-9 - Specify permissions for installed .jar * Thu Feb 19 2015 Dave Love <d.love@liverpool.ac.uk> - 1.9.20140324-8 - Conditionalize out mpich on ppc64 el6 * Wed Feb 11 2015 Dave Love <d.love@liverpool.ac.uk> - 1.9.20140324-7 - Remove _isa on -common and java requires * Tue Feb 10 2015 Dave Love <d.love@liverpool.ac.uk> - 1.9.20140324-6 - Add _isa suffix to requires - Use %global, not %define * Fri Feb 06 2015 Dave Love <d.love@liverpool.ac.uk> - 1.9.20140324-5 From review: - Remove bundled .jar - Change buildroot to the preferred form - Add desktop file - Zap %defattr - Use %optflags (sigh) * Thu Dec 11 2014 Dave Love <d.love@liverpool.ac.uk> - 1.9.20140324-4 - Drop EPEL5 for now * Fri Nov 21 2014 Dave Love <d.love@liverpool.ac.uk> - 1.9.20140324-3 - Adjust for mpich3 on EPEL6 * Sun Jul 27 2014 Dave Love <d.love@liverpool.ac.uk> - 1.9.20140324-2 - Add doc package - Add jpackage-utils dependency for gui - Remove Group tags * Thu Jun 05 2014 Dave Love <d.love@liverpool.ac.uk> - 1.9.20140324-1 - Build serial and mpich packages as well as openmpi, for Fedora - Make common and gui packages - Use updated tarball (which has the same version number) * Fri Oct 11 2013 Dave Love <d.love@liverpool.ac.uk> - 1.9-1 - Initial packaging
/usr/lib64/openmpi/bin/dl_poly_openmpi
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Fabrice Bellet, Tue Jul 9 13:02:50 2024