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Name: cp2k-mpich | Distribution: Fedora Project |
Version: 2024.3 | Vendor: Fedora Project |
Release: 2.fc42 | Build date: Mon Oct 28 14:03:09 2024 |
Group: Unspecified | Build host: buildhw-x86-04.iad2.fedoraproject.org |
Size: 63291775 | Source RPM: cp2k-2024.3-2.fc42.src.rpm |
Packager: Fedora Project | |
Url: https://www.cp2k.org/ | |
Summary: Molecular simulations software - mpich 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 mpich.
GPL-2.0-or-later
* Mon Oct 28 2024 Cristian Le <cristian.le@mpsd.mpg.de> - 2024.3-2 - Rebuild for dbcsr 2.7.0 * Thu Oct 24 2024 Packit <hello@packit.dev> - 2024.3-1 - Update to 2024.3 upstream release * Thu Oct 24 2024 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 2024.1-13 - Apply patches to make build reproducible * Thu Oct 24 2024 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 2024.1-12 - Drop unneeded call to modules.sh * Sat Oct 12 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 2024.1-11 - [skip changelog] add patch to fix broken detection logic * Sat Oct 12 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 2024.1-10 - [skip changelog] fix comment format * Sat Oct 12 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - Rebuild against libxc 7.0.0 in rawhide * Sun Jul 21 2024 Antonio Trande <sagitter@fedoraproject.org> - 2024.1-8 - Rebuild again for spglib-2.5.0 * Sun Jul 21 2024 Antonio Trande <sagitter@fedoraproject.org> - 2024.1-7 - Rebuild for spglib-2.5.0 * Wed Jul 17 2024 Fedora Release Engineering <releng@fedoraproject.org> - 2024.1-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild * 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)
/usr/lib/.build-id /usr/lib/.build-id/11 /usr/lib/.build-id/11/696c3001b06fdce863ca29c147d502551a7a3d /usr/lib/.build-id/1c /usr/lib/.build-id/1c/cfdf1599d1c2cbd8daac9b9d20e5f4bd22ca26 /usr/lib/.build-id/26 /usr/lib/.build-id/26/06aeb238346f9f7964114a53035dbfce64db3b /usr/lib/.build-id/68 /usr/lib/.build-id/68/74b83c64028adab640fa67ea2055271120bde9 /usr/lib/.build-id/b4 /usr/lib/.build-id/b4/db65417bfd620dcbdd049d41fbd98c5b432357 /usr/lib/.build-id/c5/355a346586b3dd95dc2c1cca1e01545479bf69 /usr/lib/.build-id/ff /usr/lib/.build-id/ff/592f9d042d3b8817a62c775af64bead6acc2e2 /usr/lib/mpich/bin/cp2k.psmp /usr/lib/mpich/bin/dbm_miniapp.psmp /usr/lib/mpich/bin/dumpdcd.psmp /usr/lib/mpich/bin/graph.psmp /usr/lib/mpich/bin/grid_miniapp.psmp /usr/lib/mpich/bin/xyz2dcd.psmp /usr/lib/mpich/lib/libcp2k.so.2024.3
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