cp2k-openmpi-9.1-3.fc37 RPM for x86_64

From Fedora 37 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 = 9.1-3.fc37
• libc.so.6()(64bit)
• libc.so.6(GLIBC_2.14)(64bit)
• libc.so.6(GLIBC_2.17)(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.15()(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_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.9()(64bit)
• libxcf03.so.9()(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

* 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

Files

/usr/lib/.build-id
/usr/lib/.build-id/18
/usr/lib/.build-id/18/156ab9bde9992263dcf5b1e8729ed6b10e6a3e
/usr/lib/.build-id/1a
/usr/lib/.build-id/1a/44f1ff9083826f6dd10d0427676d8f527902ba
/usr/lib/.build-id/25
/usr/lib/.build-id/25/b89ae838729a320cddd5603432dc43076974d6
/usr/lib/.build-id/26
/usr/lib/.build-id/26/2e5ad0f99ddab1abe0f3cf3e0e427b0bd5d3c2
/usr/lib/.build-id/2f
/usr/lib/.build-id/2f/d62e1b1a7206e96abd58e167f9890c5cdbd94e
/usr/lib/.build-id/50
/usr/lib/.build-id/50/3e22f6969be0b92390abdab441413d04910303
/usr/lib/.build-id/5a
/usr/lib/.build-id/5a/e7ef116e4a53c6b61ee5c4e341bffe3cc62be0
/usr/lib/.build-id/5e
/usr/lib/.build-id/5e/1bdfde2a120b53b5dd46d705820ac06ce228c1
/usr/lib/.build-id/64
/usr/lib/.build-id/64/ae3bc02f42278f09a6327d8a5700519eced213
/usr/lib/.build-id/65/6cac9ab1f0cb03c3a6e39960a997440141846c
/usr/lib/.build-id/65/c1a7208cdcfd0029b249104c891cee0a407c5e
/usr/lib/.build-id/6c
/usr/lib/.build-id/6c/fe978dd61727609f254a702711a80e09831e43
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/usr/lib/.build-id/76
/usr/lib/.build-id/76/ecaf7ef37c15571a8ba6cd4480041a35759b83
/usr/lib/.build-id/78
/usr/lib/.build-id/78/3d86ccac50ad2ce2f00bea8ba789a8171a7f1b
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/usr/lib/.build-id/82/c4d0cacc17376e680f0b85a0ef28e499ad5cee
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/usr/lib/.build-id/8c/11ec588445c62c5aa92c64c40187e6fad430d9
/usr/lib/.build-id/8c/582dd41647f18fc3ebbe2fd869b33a927a6933
/usr/lib/.build-id/97
/usr/lib/.build-id/97/ceca75a5d8642e1dde1f8aa677cb4470095cef
/usr/lib/.build-id/a1
/usr/lib/.build-id/a1/e3ccf665e80b89dac75c2edea3af6854e32266
/usr/lib/.build-id/ab/6d1104009816c7cf00a5a40ce22de51be6618c
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/usr/lib/.build-id/c1
/usr/lib/.build-id/c1/f2b3c73004dbf2f53b75eb1757bb97de5170a7
/usr/lib/.build-id/cb
/usr/lib/.build-id/cb/34905c938fba3ec022ddbc5b66acae4900f7dc
/usr/lib/.build-id/d4
/usr/lib/.build-id/d4/bcd0e96b46ee2ee3b6133677509a7438483010
/usr/lib/.build-id/d6
/usr/lib/.build-id/d6/615489cc24c183a98d46cbe647eb8f0189e436
/usr/lib/.build-id/da
/usr/lib/.build-id/da/9d6d2a4cd87ec33715823b3f201ce2902bf7de
/usr/lib/.build-id/df
/usr/lib/.build-id/df/f6c108f3932a90b45d7e825daae78dee951010
/usr/lib/.build-id/e8
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/usr/lib/.build-id/ee
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/usr/lib/.build-id/fd
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/usr/lib/.build-id/fd/5cd33cbffa8c6dea44587b8f7667abf41bdc0b
/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/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/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/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, Tue Apr 9 20:33:48 2024