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Name: cp2k-openmpi | Distribution: Fedora Project |
Version: 2024.1 | Vendor: Fedora Project |
Release: 5.fc40 | Build date: Wed Apr 24 11:55:03 2024 |
Group: Unspecified | Build host: buildvm-a64-04.iad2.fedoraproject.org |
Size: 49798646 | Source RPM: cp2k-2024.1-5.fc40.src.rpm |
Packager: Fedora Project | |
Url: https://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.
GPL-2.0-or-later
* Tue Apr 23 2024 Cristian Le <cristian.le@mpsd.mpg.de> - 2024.1-5 - Add packit workflow from upstream - Droped elpa, metis, etc. requirements - Follow upstream's Default dependencies - Split test execution between spec and testing-farm * 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
/usr/lib/.build-id /usr/lib/.build-id/06 /usr/lib/.build-id/06/5bcf77268c8a1d7801e6b71b882772d4440ec6 /usr/lib/.build-id/11 /usr/lib/.build-id/11/5650cdacbc70fb2be25e5956784c22263ddddb /usr/lib/.build-id/1e /usr/lib/.build-id/1e/c853a5daaaef0110c5a107f9e46c2d01fafc5e /usr/lib/.build-id/24/2451d3a0f758364c85274627137dc4e1652ec4 /usr/lib/.build-id/80 /usr/lib/.build-id/80/5942a135b91cec58db4747bf2be2d6c08090d0 /usr/lib/.build-id/d5 /usr/lib/.build-id/d5/9f6ce6d2649b9f812033211bad1eb6df3d23ca /usr/lib/.build-id/e1 /usr/lib/.build-id/e1/9e383ad7ed68332f1eb6df3131c42710af6bf8 /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 Nov 10 03:45:17 2024