cp2k-openmpi-2023.1-2.fc38 RPM for x86_64

From Fedora 39 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
• bundled(dbcsr)
• cp2k-openmpi(x86-64)

Requires

• cp2k-common = 2023.1-2.fc38
• 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)
• libelpa_openmp.so.17()(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)
• libint2(api)(x86-64) = 0
• libint2.so.2()(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_mpifh.so.40()(64bit)(openmpi-x86_64)
• libmvec.so.1()(64bit)
• libmvec.so.1(GLIBC_2.22)(64bit)
• libscalapack.so.2()(64bit)(openmpi-x86_64)
• libsymspg.so.1()(64bit)
• libxc.so.12()(64bit)
• libxcf03.so.12()(64bit)
• libxsmm.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

GPLv2+

Changelog

* 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
* 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

Files

/usr/lib/.build-id
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/usr/lib64/openmpi/bin/cp2k.popt_openmpi
/usr/lib64/openmpi/bin/cp2k.psmp_openmpi
/usr/lib64/openmpi/bin/cp2k_shell.psmp_openmpi
/usr/lib64/openmpi/lib/cp2k
/usr/lib64/openmpi/lib/cp2k/libcp2kao.so
/usr/lib64/openmpi/lib/cp2k/libcp2kbase.so
/usr/lib64/openmpi/lib/cp2k/libcp2kcommon.so
/usr/lib64/openmpi/lib/cp2k/libcp2kdbm.so
/usr/lib64/openmpi/lib/cp2k/libcp2kdbt.so
/usr/lib64/openmpi/lib/cp2k/libcp2kemd.so
/usr/lib64/openmpi/lib/cp2k/libcp2keri_mme.so
/usr/lib64/openmpi/lib/cp2k/libcp2kfft.so
/usr/lib64/openmpi/lib/cp2k/libcp2kfm.so
/usr/lib64/openmpi/lib/cp2k/libcp2kfpga.so
/usr/lib64/openmpi/lib/cp2k/libcp2kgpu.so
/usr/lib64/openmpi/lib/cp2k/libcp2kgrid.so
/usr/lib64/openmpi/lib/cp2k/libcp2kgridcommon.so
/usr/lib64/openmpi/lib/cp2k/libcp2kgridcpu.so
/usr/lib64/openmpi/lib/cp2k/libcp2kgridref.so
/usr/lib64/openmpi/lib/cp2k/libcp2khfxbase.so
/usr/lib64/openmpi/lib/cp2k/libcp2kinput.so
/usr/lib64/openmpi/lib/cp2k/libcp2kmain.so
/usr/lib64/openmpi/lib/cp2k/libcp2kmc.so
/usr/lib64/openmpi/lib/cp2k/libcp2kmetadyn_tools.so
/usr/lib64/openmpi/lib/cp2k/libcp2kminimax.so
/usr/lib64/openmpi/lib/cp2k/libcp2kmotion.so
/usr/lib64/openmpi/lib/cp2k/libcp2kmpiwrap.so
/usr/lib64/openmpi/lib/cp2k/libcp2koffload.so
/usr/lib64/openmpi/lib/cp2k/libcp2kpw.so
/usr/lib64/openmpi/lib/cp2k/libcp2kpw_env.so
/usr/lib64/openmpi/lib/cp2k/libcp2kshg_int.so
/usr/lib64/openmpi/lib/cp2k/libcp2kstart.so
/usr/lib64/openmpi/lib/cp2k/libcp2ksubsys.so
/usr/lib64/openmpi/lib/cp2k/libcp2kswarm.so
/usr/lib64/openmpi/lib/cp2k/libcp2ktas.so
/usr/lib64/openmpi/lib/cp2k/libcp2kthermostat.so
/usr/lib64/openmpi/lib/cp2k/libcp2ktmc.so
/usr/lib64/openmpi/lib/cp2k/libcp2kxc.so
/usr/lib64/openmpi/lib/cp2k/libdbcsr.so
/usr/lib64/openmpi/lib/cp2k/libdbcsrarnoldi.so
/usr/lib64/openmpi/lib/cp2k/libdbcsrx.so

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Fabrice Bellet, Sun Mar 9 16:42:02 2025