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Name: cp2k-openmpi | Distribution: Fedora Project |
Version: 9.1 | Vendor: Fedora Project |
Release: 3.fc37 | Build date: Thu Jul 21 02:02:06 2022 |
Group: Unspecified | Build host: buildvm-ppc64le-35.iad2.fedoraproject.org |
Size: 43776596 | Source RPM: cp2k-9.1-3.fc37.src.rpm |
Packager: Fedora Project | |
Url: http://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+
* 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 * Wed Jan 19 2022 Fedora Release Engineering <releng@fedoraproject.org> - 8.2-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Thu Sep 30 2021 Dominik Mierzejewski <rpm@greysector.net> - 8.2-1 - update to 8.2 (#1911741) - drop obsolete patch - enable spglib support * Tue Jan 26 2021 Fedora Release Engineering <releng@fedoraproject.org> - 7.1-2.20200925gitdbf7a77 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Fri Sep 25 2020 Dominik Mierzejewski <rpm@greysector.net> - 7.1-1 - update to post-7.1 snapshot for gcc-10 compatibility (#1786794) - [sp]opt variants are no longer built (use OMP_NUM_THREADS=1 instead) * Mon Aug 10 2020 Iñaki Úcar <iucar@fedoraproject.org> - 6.1-10 - https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager * Sat Aug 01 2020 Fedora Release Engineering <releng@fedoraproject.org> - 6.1-9 - Second attempt - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Mon Jul 27 2020 Fedora Release Engineering <releng@fedoraproject.org> - 6.1-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
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