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Name: cp2k-openmpi | Distribution: Fedora Project |
Version: 2024.1 | Vendor: Fedora Project |
Release: 4.fc40 | Build date: Fri Jan 26 23:27:13 2024 |
Group: Unspecified | Build host: buildvm-ppc64le-24.iad2.fedoraproject.org |
Size: 57272830 | Source RPM: cp2k-2024.1-4.fc40.src.rpm |
Packager: Fedora Project | |
Url: httsp://www.cp2k.org/ | |
Summary: Molecular simulations software - openmpi version |
CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials. CP2K does not implement Car-Parinello Molecular Dynamics (CPMD). This package contains the parallel single- and multi-threaded versions using OpenMPI.
GPLv2+
* Fri Jan 26 2024 Cristian Le <cristian.le@mpsd.mpg.de> - 2024.1-4 - Updated Spglib library dependency * Wed Jan 24 2024 Fedora Release Engineering <releng@fedoraproject.org> - 2024.1-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Sun Jan 14 2024 Orion Poplawski <orion@nwra.com> - 2024.1-1 - Update to 2024.1 * Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2023.1-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2023.1-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Tue Jan 03 2023 Dominik Mierzejewski <dominik@greysector.net> - 2023.1-1 - update to 2023.1 (#2105463) * Thu Oct 27 2022 Mamoru TASAKA <mtasaka@fedoraproject.org> - 9.1-4 - Rebuild for new libxc * Wed Jul 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 9.1-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Tue Mar 22 2022 Dominik Mierzejewski <dominik@greysector.net> - 9.1-2 - fix three failing tests due to wrong LD_LIBRARY_PATH setting * Wed Mar 16 2022 Dominik Mierzejewski <dominik@greysector.net> - 9.1-1 - update to 9.1 (#2036421) - re-enable LTO on x86_64
/usr/lib/.build-id /usr/lib/.build-id/1a /usr/lib/.build-id/1a/ade927d3d9388ffdea8c8ff352b01d50d2e060 /usr/lib/.build-id/35 /usr/lib/.build-id/35/94ac8d73975d44cb0002eefeea258da41c6c14 /usr/lib/.build-id/41 /usr/lib/.build-id/41/fc1878287e855093be91564c60e852f813139e /usr/lib/.build-id/58 /usr/lib/.build-id/58/174685924396b5e7c4d7c2f9e168e4c7b4b105 /usr/lib/.build-id/62 /usr/lib/.build-id/62/74afe02e10677942e56bf17af164d9002608d6 /usr/lib/.build-id/f1 /usr/lib/.build-id/f1/67a395f75d4549134dd02d83584987ddc457d0 /usr/lib/.build-id/f9 /usr/lib/.build-id/f9/918e169d990773711b3fec5e28b0570c063a72 /usr/lib64/openmpi/bin/cp2k.psmp /usr/lib64/openmpi/bin/dbm_miniapp.psmp /usr/lib64/openmpi/bin/dumpdcd.psmp /usr/lib64/openmpi/bin/graph.psmp /usr/lib64/openmpi/bin/grid_miniapp.psmp /usr/lib64/openmpi/bin/xyz2dcd.psmp /usr/lib64/openmpi/lib/libcp2k.so.23.1 /usr/lib64/openmpi/lib/libcp2k.so.23.1.00
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Fabrice Bellet, Sun Mar 9 18:30:21 2025