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Name: cp2k-openmpi | Distribution: Fedora Project |
Version: 2024.1 | Vendor: Fedora Project |
Release: 4.fc40 | Build date: Fri Jan 26 23:01:17 2024 |
Group: Unspecified | Build host: buildvm-a64-36.iad2.fedoraproject.org |
Size: 49735910 | 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/43 /usr/lib/.build-id/43/30e36916ea21071bfe5b0cb8fb1e132140c462 /usr/lib/.build-id/4a /usr/lib/.build-id/4a/196c8737d15ba4bc64bf2ea57964172fa3cbdf /usr/lib/.build-id/4c /usr/lib/.build-id/4c/001eb53cb716419cdef45176a16aa650b91627 /usr/lib/.build-id/ce /usr/lib/.build-id/ce/efb7a124a715f97dc665ec9c2c8fa3ecc5718a /usr/lib/.build-id/de /usr/lib/.build-id/de/5645dd474ce9ddbbc6a99750f33c343ac4fdd9 /usr/lib/.build-id/e8 /usr/lib/.build-id/e8/52c3dff102978af42735c1a124f74659a9a139 /usr/lib/.build-id/ed /usr/lib/.build-id/ed/3db0f480e75de259555f94f9f70448d6ba83f7 /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 18:21:05 2025