cp2k-openmpi-6.1-1.fc29.i686.rpm


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Description

cp2k-openmpi - Molecular simulations software - openmpi version

Property Value
Distribution Fedora 29
Repository Fedora i386
Package filename cp2k-openmpi-6.1-1.fc29.i686.rpm
Package name cp2k-openmpi
Package version 6.1
Package release 1.fc29
Package architecture i686
Package type rpm
Homepage http://cp2k.org/
License GPLv2+
Maintainer -
Download size 17.37 MB
Installed size 68.58 MB
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.

Alternatives

Package Version Architecture Repository
cp2k-openmpi-6.1-1.fc29.x86_64.rpm 6.1 x86_64 Fedora
cp2k-openmpi - - -

Requires

Name Value
cp2k-common = 6.1-1.fc29
libc.so.6(GLIBC_2.4) -
libderiv-stable.so.1 -
libdl.so.2 -
libelpa.so.8(openmpi-i386) -
libfftw3.so.3 -
libfftw3_omp.so.3 -
libgcc_s.so.1 -
libgcc_s.so.1(GCC_3.0) -
libgcc_s.so.1(GCC_3.3.1) -
libgcc_s.so.1(GCC_4.0.0) -
libgcc_s.so.1(GCC_7.0.0) -
libgcc_s.so.1(GLIBC_2.0) -
libgfortran.so.5 -
libgfortran.so.5(GFORTRAN_8) -
libint(api)(x86-32) = 0
libint-stable.so.1 -
libm.so.6 -
libm.so.6(GLIBC_2.0) -
libm.so.6(GLIBC_2.1) -
libmpi.so.20(openmpi-i386) -
libmpi_mpifh.so.20(openmpi-i386) -
libmpi_usempi_ignore_tkr.so.20(openmpi-i386) -
libmpi_usempif08.so.20(openmpi-i386) -
libmpiblacs.so.2(openmpi-i386) -
libopenblas.so.0 -
libpthread.so.0 -
libpthread.so.0(GLIBC_2.0) -
libquadmath.so.0 -
libscalapack.so.2(openmpi-i386) -
libstdc++.so.6 -
libxc.so.5 -
libxcf03.so.5 -
rtld(GNU_HASH) -

Provides

Name Value
cp2k-openmpi = 6.1-1.fc29
cp2k-openmpi(x86-32) = 6.1-1.fc29

Download

Type URL
Mirror download-ib01.fedoraproject.org
Binary Package cp2k-openmpi-6.1-1.fc29.i686.rpm
Source Package cp2k-6.1-1.fc29.src.rpm

Install Howto

Install cp2k-openmpi rpm package:

# dnf install cp2k-openmpi

Files

Path
/usr/lib/.build-id/
/usr/lib/.build-id/02/5b274fb3bd796ef92a126b34e29efee5d3dae1
/usr/lib/.build-id/05/372ea8592dc02330f4e577e0b474769d6c0eeb
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/usr/lib/openmpi/bin/cp2k.popt_openmpi
/usr/lib/openmpi/bin/cp2k.psmp_openmpi
/usr/lib/openmpi/bin/cp2k_shell.popt_openmpi
/usr/lib/openmpi/bin/cp2k_shell.psmp_openmpi
/usr/lib/openmpi/lib/cp2k/libclsmm.popt.so
/usr/lib/openmpi/lib/cp2k/libclsmm.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kacc.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kacc.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kaccmic.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kaccmic.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kaccopencl.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kaccopencl.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kao.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kao.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kbase.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kbase.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kcommon.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kcommon.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kdbcsr_tensor.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kdbcsr_tensor.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kemd.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kemd.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2keri_mme.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2keri_mme.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kfft.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kfft.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kfm.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kfm.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kgrid.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kgrid.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2khfxbase.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2khfxbase.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kinput.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kinput.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kmain.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kmain.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kmc.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kmc.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kmetadyn_tools.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kmetadyn_tools.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kminimax.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kminimax.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kmotion.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kmotion.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kmpiwrap.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kmpiwrap.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kpw.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kpw.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kshg_int.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kshg_int.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kstart.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kstart.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2ksubsys.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2ksubsys.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kswarm.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kswarm.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kthermostat.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kthermostat.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2ktmc.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2ktmc.psmp.so
/usr/lib/openmpi/lib/cp2k/libcp2kxc.popt.so
/usr/lib/openmpi/lib/cp2k/libcp2kxc.psmp.so
/usr/lib/openmpi/lib/cp2k/libdbcsr.popt.so
/usr/lib/openmpi/lib/cp2k/libdbcsr.psmp.so
/usr/lib/openmpi/lib/cp2k/libdbcsrarnoldi.popt.so
/usr/lib/openmpi/lib/cp2k/libdbcsrarnoldi.psmp.so
/usr/lib/openmpi/lib/cp2k/libdbcsrbase.popt.so
/usr/lib/openmpi/lib/cp2k/libdbcsrbase.psmp.so
/usr/lib/openmpi/lib/cp2k/libdbcsrbblock.popt.so
/usr/lib/openmpi/lib/cp2k/libdbcsrbblock.psmp.so
/usr/lib/openmpi/lib/cp2k/libdbcsrbdist.popt.so
/usr/lib/openmpi/lib/cp2k/libdbcsrbdist.psmp.so
/usr/lib/openmpi/lib/cp2k/libdbcsrdata.popt.so
/usr/lib/openmpi/lib/cp2k/libdbcsrdata.psmp.so
/usr/lib/openmpi/lib/cp2k/libdbcsrmm.popt.so
/usr/lib/openmpi/lib/cp2k/libdbcsrmm.psmp.so
/usr/lib/openmpi/lib/cp2k/libdbcsrops.popt.so
/usr/lib/openmpi/lib/cp2k/libdbcsrops.psmp.so
/usr/lib/openmpi/lib/cp2k/libdbcsrx.popt.so
/usr/lib/openmpi/lib/cp2k/libdbcsrx.psmp.so
/usr/lib/openmpi/lib/cp2k/libmicsmm.popt.so
/usr/lib/openmpi/lib/cp2k/libmicsmm.psmp.so

Changelog

2018-07-16 - Dominik Mierzejewski <rpm@greysector.net> - 6.1-1
- update to 6.1
- drop obsolete patches
- openblas is available on all supported arches, drop conditional atlas support
2018-07-12 - Fedora Release Engineering <releng@fedoraproject.org> - 5.1-5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
2018-05-22 - Dominik Mierzejewski <rpm@greysector.net> - 5.1-4
- rebuild against libxsmm-1.8.3-1 which changed SONAME (#1577497)
2018-02-07 - Dominik Mierzejewski <rpm@greysector.net> - 5.1-3
- use upstream patch for libxc-4.x support
- reorder and adjust patches
- unbundle fypp
- use python3 in build scripts
2018-02-07 - Fedora Release Engineering <releng@fedoraproject.org> - 5.1-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
2018-01-17 - Dominik Mierzejewski <rpm@greysector.net> - 5.1-1
- update to 5.1
- conditionalize testing and disable by default as they take too long
- test all flavors, not just OpenMPI ssmp
- fix compilation on 32bit architectures
2017-10-23 - Susi Lehtola <susi.lehtola@iki.fi> - 4.1-5
- Rebuild against libxc 4.
2017-08-02 - Fedora Release Engineering <releng@fedoraproject.org> - 4.1-4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
2017-07-26 - Fedora Release Engineering <releng@fedoraproject.org> - 4.1-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
2017-06-17 - Dominik Mierzejewski <rpm@greysector.net> - 4.1-2
- build with libxsmm on x86_64 for improved matrix multiplication performance
- simplify some loops
- drop support for old blacs (even EL6 has scalapack with blacs now)

See Also

Package Description
cpanspec-1.78-32.fc29.noarch.rpm RPM spec file generation utility
cpdup-1.18-5.fc29.i686.rpm Filesystem mirroring utility
cpio-2.12-9.fc29.i686.rpm A GNU archiving program
cpipe-3.0.1-20.fc29.i686.rpm Counting pipe
cpl-7.0-9.fc29.i686.rpm ESO library for automated astronomical data-reduction tasks
cpl-devel-7.0-9.fc29.i686.rpm Libraries, includes, etc. used to develop an application with cpl
cpmtools-2.20-7.fc29.i686.rpm Programs for accessing CP/M disks
cpp-8.2.1-2.fc29.i686.rpm The C Preprocessor
cpp-hocon-0.1.6-8.fc29.i686.rpm The library provides C++ support for the HOCON configuration file format
cpp-hocon-devel-0.1.6-8.fc29.i686.rpm Development files for the cpp-hocon library
cpp_demangle-0.2.10-1.fc29.i686.rpm c++filt clone in Rust
cppad-devel-20180000.0-3.fc29.i686.rpm The cppad C++ include files for Algorithmic Differentiation (AD)
cppad-doc-20180000.0-3.fc29.noarch.rpm Documentation for cppad-devel
cppcheck-1.83-4.fc29.i686.rpm Tool for static C/C++ code analysis
cppcheck-gui-1.83-4.fc29.i686.rpm Graphical user interface for cppcheck
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