cp2k-mpich-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 mpich.

Provides

• cp2k-mpich
• bundled(dbcsr)
• cp2k-mpich(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)(mpich-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)
• libmpifort.so.12()(64bit)(mpich-x86_64)
• libmvec.so.1()(64bit)
• libmvec.so.1(GLIBC_2.22)(64bit)
• libscalapack.so.2()(64bit)(mpich-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/05
/usr/lib/.build-id/05/34aabeed3aea1eadf6061ef3dd806c174a7169
/usr/lib/.build-id/09
/usr/lib/.build-id/09/fdf887fb048fa4c43eb1fbba5ac5ddd08f8fd7
/usr/lib/.build-id/0b
/usr/lib/.build-id/0b/f374345575c3e1975bd10e90adc9afc89b4065
/usr/lib/.build-id/16
/usr/lib/.build-id/16/6ed2ca360328be748bdbb3de49586b7892e998
/usr/lib/.build-id/22
/usr/lib/.build-id/22/cc2b90f258485b65224a5978cf5bb6ac2bd3d8
/usr/lib/.build-id/2a
/usr/lib/.build-id/2a/3f38cec0d2d4852c61fc51923447082c8a8e33
/usr/lib/.build-id/36/365115e3aedf1ff21a25450bb57eabc48e8bc5
/usr/lib/.build-id/3d/018c53d446b106488b9ae37ab0ee461f6367df
/usr/lib/.build-id/47
/usr/lib/.build-id/47/7af0e6d1b31d5d63c2b08330e0b11a5972edff
/usr/lib/.build-id/48
/usr/lib/.build-id/48/04982776e226932f71b77bf3727859021a0b33
/usr/lib/.build-id/4a
/usr/lib/.build-id/4a/11e169528f230b7ab8de2ed367f2de8c7097a6
/usr/lib/.build-id/4e
/usr/lib/.build-id/4e/fee1d6c1dca99002ffd1911fed93e79bd5134e
/usr/lib/.build-id/4f
/usr/lib/.build-id/4f/5da57af358be85844b0e18ffff510cff8b34df
/usr/lib/.build-id/51
/usr/lib/.build-id/51/969851d3e9f265e1de1abe964667b407849f5f
/usr/lib/.build-id/59
/usr/lib/.build-id/59/9afacf523e6379aea8e3383e7d58778f301718
/usr/lib/.build-id/61
/usr/lib/.build-id/61/eba1ba608ff7e23894cf736fad911f36ae713d
/usr/lib/.build-id/63
/usr/lib/.build-id/63/178ce5b135b1fbdd4dd683c23739f116ca7043
/usr/lib/.build-id/6e/6a17917ffbce8c1fa84ae1329c8cf412fa0e24
/usr/lib/.build-id/70
/usr/lib/.build-id/70/97d836cc8042969c44291483eb3731166774d0
/usr/lib/.build-id/8c/0e10ddcdc6c8bf27772e608701da20f1f07426
/usr/lib/.build-id/8c/f655e81d9af7846b19f484247fe72108aa312d
/usr/lib/.build-id/8e
/usr/lib/.build-id/8e/ef91936b004877ab50df0db221ca0089390142
/usr/lib/.build-id/97/987f54f686344023dc5583dcfb9adc4197f3bc
/usr/lib/.build-id/a1/fcff974624e8697a206244bb15a90e650fc95a
/usr/lib/.build-id/b5
/usr/lib/.build-id/b5/39120f04255b004a847d742fab66554463395d
/usr/lib/.build-id/b8/f33bfd2671e210000771451d86ca8b02139ab7
/usr/lib/.build-id/c2
/usr/lib/.build-id/c2/4443834486d837b58bb343412eb6916de447a3
/usr/lib/.build-id/cd
/usr/lib/.build-id/cd/6073062816130d38de181c99eda281465964c8
/usr/lib/.build-id/d4/5a595a11c51a36c9de3b2e85015696099a9cd7
/usr/lib/.build-id/e1
/usr/lib/.build-id/e1/945cf9517be27a507a440bb97670e62d8b32ee
/usr/lib/.build-id/ea
/usr/lib/.build-id/ea/bb4a8278e4fa82b40f53b89fda02e9de848233
/usr/lib/.build-id/f1
/usr/lib/.build-id/f1/3ecbacf8c3964b2c4ab6a7b99bba0e80750f7d
/usr/lib/.build-id/f6
/usr/lib/.build-id/f6/669546b649f3a58b4cc844e72495fb13687b35
/usr/lib/.build-id/f7
/usr/lib/.build-id/f7/5ddd2a313103b34eceb3592ac9465abefa44bc
/usr/lib64/mpich/bin/cp2k.popt_mpich
/usr/lib64/mpich/bin/cp2k.psmp_mpich
/usr/lib64/mpich/bin/cp2k_shell.psmp_mpich
/usr/lib64/mpich/lib/cp2k
/usr/lib64/mpich/lib/cp2k/libcp2kao.so
/usr/lib64/mpich/lib/cp2k/libcp2kbase.so
/usr/lib64/mpich/lib/cp2k/libcp2kcommon.so
/usr/lib64/mpich/lib/cp2k/libcp2kemd.so
/usr/lib64/mpich/lib/cp2k/libcp2keri_mme.so
/usr/lib64/mpich/lib/cp2k/libcp2kfft.so
/usr/lib64/mpich/lib/cp2k/libcp2kfm.so
/usr/lib64/mpich/lib/cp2k/libcp2kfpga.so
/usr/lib64/mpich/lib/cp2k/libcp2kgrid.so
/usr/lib64/mpich/lib/cp2k/libcp2kgridcommon.so
/usr/lib64/mpich/lib/cp2k/libcp2kgridcpu.so
/usr/lib64/mpich/lib/cp2k/libcp2kgridref.so
/usr/lib64/mpich/lib/cp2k/libcp2khfxbase.so
/usr/lib64/mpich/lib/cp2k/libcp2kinput.so
/usr/lib64/mpich/lib/cp2k/libcp2kmain.so
/usr/lib64/mpich/lib/cp2k/libcp2kmc.so
/usr/lib64/mpich/lib/cp2k/libcp2kmetadyn_tools.so
/usr/lib64/mpich/lib/cp2k/libcp2kminimax.so
/usr/lib64/mpich/lib/cp2k/libcp2kmotion.so
/usr/lib64/mpich/lib/cp2k/libcp2kmpiwrap.so
/usr/lib64/mpich/lib/cp2k/libcp2koffload.so
/usr/lib64/mpich/lib/cp2k/libcp2kpw.so
/usr/lib64/mpich/lib/cp2k/libcp2kpw_env.so
/usr/lib64/mpich/lib/cp2k/libcp2kshg_int.so
/usr/lib64/mpich/lib/cp2k/libcp2kstart.so
/usr/lib64/mpich/lib/cp2k/libcp2ksubsys.so
/usr/lib64/mpich/lib/cp2k/libcp2kswarm.so
/usr/lib64/mpich/lib/cp2k/libcp2kthermostat.so
/usr/lib64/mpich/lib/cp2k/libcp2ktmc.so
/usr/lib64/mpich/lib/cp2k/libcp2kxc.so
/usr/lib64/mpich/lib/cp2k/libdbcsr.so
/usr/lib64/mpich/lib/cp2k/libdbcsrarnoldi.so
/usr/lib64/mpich/lib/cp2k/libdbcsrx.so

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Fabrice Bellet, Tue Apr 9 20:33:48 2024