cp2k-openmpi-2024.3-4.fc43 RPM for x86_64

From Fedora Rawhide for x86_64 / c

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.

Provides

• cp2k-openmpi
• cp2k-openmpi(x86-64)
• libcp2k.so.2024.3()(64bit)(openmpi-x86_64)

Requires

• cp2k-common = 2024.3-4.fc43
• libc.so.6()(64bit)
• libc.so.6(GLIBC_2.14)(64bit)
• libc.so.6(GLIBC_2.2.5)(64bit)
• libc.so.6(GLIBC_2.3.4)(64bit)
• libc.so.6(GLIBC_2.34)(64bit)
• libc.so.6(GLIBC_2.4)(64bit)
• libc.so.6(GLIBC_2.7)(64bit)
• libc.so.6(GLIBC_ABI_DT_RELR)(64bit)
• libcp2k.so.2024.3()(64bit)(openmpi-x86_64)
• libdbcsr.so.2.8()(64bit)(openmpi-x86_64)
• libfftw3.so.3()(64bit)
• libfftw3_omp.so.3()(64bit)
• libflexiblas.so.3()(64bit)
• libgcc_s.so.1()(64bit)
• libgcc_s.so.1(GCC_3.0)(64bit)
• libgcc_s.so.1(GCC_3.3.1)(64bit)
• libgcc_s.so.1(GCC_4.0.0)(64bit)
• libgfortran.so.5()(64bit)
• libgfortran.so.5(GFORTRAN_10)(64bit)
• libgfortran.so.5(GFORTRAN_8)(64bit)
• libgomp.so.1()(64bit)
• libgomp.so.1(GOMP_1.0)(64bit)
• libgomp.so.1(GOMP_4.0)(64bit)
• libgomp.so.1(GOMP_4.5)(64bit)
• libgomp.so.1(OMP_1.0)(64bit)
• libgomp.so.1(OMP_2.0)(64bit)
• libgomp.so.1(OMP_3.0)(64bit)
• libm.so.6()(64bit)
• libm.so.6(GLIBC_2.2.5)(64bit)
• libm.so.6(GLIBC_2.23)(64bit)
• libm.so.6(GLIBC_2.27)(64bit)
• libm.so.6(GLIBC_2.29)(64bit)
• libmpi.so.40()(64bit)(openmpi-x86_64)
• libmpi_mpifh.so.40()(64bit)(openmpi-x86_64)
• libmpi_usempi_ignore_tkr.so.40()(64bit)(openmpi-x86_64)
• libmpi_usempif08.so.40()(64bit)(openmpi-x86_64)
• libmvec.so.1()(64bit)
• libmvec.so.1(GLIBC_2.22)(64bit)
• libmvec.so.1(GLIBC_2.35)(64bit)
• libscalapack.so.2()(64bit)(openmpi-x86_64)
• libsymspg.so.2()(64bit)
• libxc.so.15()(64bit)
• libxcf03.so.15()(64bit)
• libxsmm.so.1()(64bit)
• libxsmmext.so.1()(64bit)
• libxsmmf.so.1()(64bit)
• rpmlib(CompressedFileNames) <= 3.0.4-1
• rpmlib(FileDigests) <= 4.6.0-1
• rpmlib(PayloadFilesHavePrefix) <= 4.0-1
• rpmlib(PayloadIsZstd) <= 5.4.18-1
• rtld(GNU_HASH)

License

GPL-2.0-or-later

Changelog

* Thu Feb 06 2025 Cristian Le <git@lecris.dev> - 2024.3-4
  - Rebuild with dbcsr 2.8.0
* Thu Jan 16 2025 Fedora Release Engineering <releng@fedoraproject.org> - 2024.3-3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild
* 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

Files

/usr/lib/.build-id
/usr/lib/.build-id/48
/usr/lib/.build-id/48/e7b50b5e647599e9fbf7a344555e224f9d195d
/usr/lib/.build-id/9a
/usr/lib/.build-id/9a/00b2c5859a44cf6641ea62acfc2ef98c170fa8
/usr/lib/.build-id/a1
/usr/lib/.build-id/a1/c4620f0c1891806b755530d1fbf739e04d9bf9
/usr/lib/.build-id/af
/usr/lib/.build-id/af/5db467abda7a4ff9f4d42ae46a26165ac60496
/usr/lib/.build-id/bf
/usr/lib/.build-id/bf/b7b493664320f0f0d6ddc3ca776c06abd3cb35
/usr/lib/.build-id/d9/8e5637d5b3b99ce724d9b44ac65409991e973d
/usr/lib/.build-id/dc
/usr/lib/.build-id/dc/92ac48e71892413c2320206cad98c439316681
/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.2024.3

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Fabrice Bellet, Thu Feb 13 00:34:13 2025