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nwchem-mpich-7.0.2-4.el8 RPM for ppc64le

From EPEL 8 for ppc64le / Packages / n

Name: nwchem-mpich Distribution: Fedora Project
Version: 7.0.2 Vendor: Fedora Project
Release: 4.el8 Build date: Thu Nov 26 20:11:39 2020
Group: Unspecified Build host: buildvm-ppc64le-36.iad2.fedoraproject.org
Size: 87043464 Source RPM: nwchem-7.0.2-4.el8.src.rpm
Packager: Fedora Project
Url: https://nwchemgit.github.io/
Summary: nwchem - mpich version
 
NWChem aims to provide its users with computational chemistry tools that are
scalable both in their ability to treat large scientific computational
chemistry problems efficiently, and in their use of available parallel
computing resources from high-performance parallel supercomputers to
conventional workstation clusters.

Please cite the following reference when
publishing results obtained with NWChem:
M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma,
H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong,
"NWChem: a comprehensive and scalable open-source solution for
large scale molecular simulations" Comput. Phys. Commun. 181, 1477 (2010)

This package contains the mpich version.

Provides

Requires

License

ECL 2.0

Changelog

* Tue Nov 24 2020 Marcin Dulak <Marcin.Dulak@gmail.com> - 7.0.2-4
  - Patch for Python 3.10
  - Compile with USE_NOIO=TRUE https://github.com/nwchemgit/nwchem/issues/272
* Sat Nov 21 2020 Marcin Dulak <Marcin.Dulak@gmail.com> - 7.0.2-3
  - Replace OMP_NUM_THREADS=1 with FLEXIBLAS=openblas-serial to restore https://src.fedoraproject.org/rpms/flexiblas/c/4286c061697330a8d30d2cd3a1d20f018da81258
  - Replace mentions of the old website with nwchemgit.github.io
* Mon Oct 19 2020 Marcin Dulak <Marcin.Dulak@gmail.com> - 7.0.2-2
  - Set OMP_NUM_THREADS=1 https://github.com/edoapra/fedpkg/issues/10#issuecomment-699276160
  - Fix hostname br for el6
* Thu Oct 15 2020 Edoardo Aprà <edoardo.apra@gmail.com> - 7.0.2-1
  - new 7.0.2 release
* Fri Aug 28 2020 Iñaki Úcar <iucar@fedoraproject.org> - 7.0.0-11
  - https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager
* Tue Jul 28 2020 Fedora Release Engineering <releng@fedoraproject.org> - 7.0.0-10
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
* Tue May 26 2020 Miro Hrončok <mhroncok@redhat.com> - 7.0.0-9
  - Rebuilt for Python 3.9
* Thu Apr 02 2020 Björn Esser <besser82@fedoraproject.org> - 7.0.0-8
  - Fix string quoting for rpm >= 4.16
* Sat Mar 28 2020 Edoardo Aprà <edoardo.apra@gmail.com> - 7.0.0-7
  - nproc=1 for mpich/ppc64le
* Sun Mar 22 2020 Edoardo Aprà <edoardo.apra@gmail.com> - 7.0.0-6
  - fix to get rid of HYDRA_DEBUG on mpich
  - drop rhel6 support
* Wed Mar 18 2020 Edoardo Aprà <edoardo.apra@gmail.com> - 7.0.0-5
  - switch to ga 5.7-2.3
  - enabled arm, aarch64 and ppc64le architectures
  - removed libibverbs-devel, ncurses-devel, zlib-devel and readline-devel
  - perl-File-Basename rpm needed on fedora 33
  - 32bit build needed for arm
  - added patch to fix solvation failures on ppc64le
* Fri Mar 06 2020 Edoardo Aprà <edoardo.apra@gmail.com> - 7.0.0-4
  - work-around for openmpi 4.0.1 segfault
  - skip tests for rhel6 mpich
  - fix for pspw when peigs is not available and scalapack is
  - fix for mcscf when peigs is not available and scalapack is
  - Using tarball from 7.0.0 official release
* Wed Jan 29 2020 Fedora Release Engineering <releng@fedoraproject.org> - 7.0.0-3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild
* Tue Jan 21 2020 Marcin Dulak <Marcin.Dulak@gmail.com> - 7.0.0-2
  - new upstream snapshot release
* Fri Oct 04 2019 Marcin Dulak <Marcin.Dulak@gmail.com> - 7.0.0-1
  - new upstream snapshot release
* Fri Aug 30 2019 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.8.2-1
  - new upstream snapshot release
  - switch to python3 br on fedora >= 30 bug #1738065
* Thu Jul 25 2019 Fedora Release Engineering <releng@fedoraproject.org> - 6.8.1-11
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild
* Mon Jun 03 2019 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.8.1-10
  - removal of tcsh br requires a patch https://github.com/nwchemgit/nwchem/issues/120
* Mon Jun 03 2019 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.8.1-9
  - remove br tcsh since it's orphaned in Fedora 30
* Fri May 17 2019 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.8.1-8
  - explicit mpi related requires on epel7/epel6
* Thu Feb 14 2019 Orion Poplawski <orion@nwra.com> - 6.8.1-7
  - Rebuild for openmpi 3.1.3
* Fri Feb 01 2019 Fedora Release Engineering <releng@fedoraproject.org> - 6.8.1-6
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
* Sun Jul 15 2018 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.8.1-6
  - protect yourself from Fedora changing rpm macros: no python_version available in f29
* Fri Jul 13 2018 Fedora Release Engineering <releng@fedoraproject.org> - 6.8.1-5
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
* Thu Jun 28 2018 Edoardo Apra <edoardo.apra@gmail.com> - 6.8.1-4
  - requires ga rpm version >= 5.6.5-1
* Fri Jun 15 2018 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.8.1-3
  - minor cleanup
  - br libibverbs-devel
* Thu Jun 14 2018 Edoardo Apra <edoardo.apra@gmail.com> - 6.8.1-2
  - 6.8.1 release tarball
* Thu Jun 14 2018 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.8.1-1
  - upstream update, sources are at github now
  - drop el6 support
* Fri Jun 08 2018 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.6.27746-34
  - patch https://github.com/nwchemgit/nwchem/issues/41
* Thu Feb 08 2018 Fedora Release Engineering <releng@fedoraproject.org> - 6.6.27746-33
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
* Thu Aug 03 2017 Fedora Release Engineering <releng@fedoraproject.org> - 6.6.27746-32
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
* Thu Jul 27 2017 Fedora Release Engineering <releng@fedoraproject.org> - 6.6.27746-31
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
* Wed Feb 15 2017 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.6.27746-30
  - restore nwchemrc
* Sat Feb 11 2017 Fedora Release Engineering <releng@fedoraproject.org> - 6.6.27746-29
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild
* Fri Oct 21 2016 Orion Poplawski <orion@cora.nwra.com> - 6.6.27746-28
  - Rebuild for openmpi 2.0
* Tue Jul 19 2016 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.6.27746-27
  - apply upstream patches for gcc version 6 (see bug# 1356735)
  - set NWCHEM env variables instead of prepending (bug #1347788)
* Sat Jul 16 2016 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.6.27746-26
  - remove compiler native arch optimizations (see bug# 1347788)
* Sat Jul 16 2016 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.6.27746-25
  - kill hanging %check after 30min timeout (see bug #1356735)
  - remove defattr
  - prevent macros from continuing after an intermediate command error
  - handle mpi Requires explicitly due to el6 (see bug #1357018)
  - get rid of %{mpich} variables
* Thu Feb 04 2016 Fedora Release Engineering <releng@fedoraproject.org> - 6.6.27746-24
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild
* Wed Nov 18 2015 Rafael Fonseca <rdossant@redhat.com> - 6.5.26243-23
  - Make nwchem x86 exclusive because of its BuildRequires (#1278066)
* Sat Nov 07 2015 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.6.27746-22
  - upstream update
  - files-attr
* Fri Oct 23 2015 Susi Lehtola <jussilehtola@fedoraproject.org> - 6.5.26243-21
  - Enable CCSDTQ and CCSDTLR.
* Tue Sep 15 2015 Orion Poplawski <orion@cora.nwra.com> - 6.5.26243-20
  - Rebuild for openmpi 1.10.0
* Fri Aug 28 2015 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.5.26243-19
  - hostname is in net-tools only on el6
* Thu Aug 27 2015 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.5.26243-18
  - BuildRequires net-tools (hostname) needed
* Sun Jul 26 2015 Sandro Mani <manisandro@gmail.com> - 6.5.26243-17
  - Rebuild for RPM MPI Requires Provides Change
* Wed Jun 17 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 6.5.26243-16
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild
* Thu May 21 2015 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.5.26243-15
  - fix linking of mpich/openmpi
* Mon Mar 30 2015 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.5.26243-15
  - EACCSD, IPCCSD enabled
  - fix Fedora 23 linking of mpich/openmpi
* Mon Mar 02 2015 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.5.26243-14
  - fix bug #1196616
  - allow SRPM build on noarch
* Sat Nov 15 2014 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.5.26243-13
  - upstream update
  - MRCC_THEORY and NWCHEM_LONG_PATHS enabled
  - exclude aarch64
  - mpich3 on el6
* Sun Aug 17 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 6.3.2-12
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild
* Tue Jun 10 2014 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.3.2-11
  - explicit Requires needed bug #1105509
  - excluding tests (hang on Fedora 21 i686)
  - added arm to ifarch (koji does: rpmbuild -bs --target arm --nodeps)
* Sat Jun 07 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 6.3.2-10
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild
* Tue Apr 08 2014 Marcin Dulak <Marcin.Dulak@gmail.com> 6.3.2-9
  - removed bundling of BLAS, LAPACK, GA
* Tue Mar 18 2014 Björn Esser <bjoern.esser@gmail.com> - 6.3.2-8
  - rebuilt for mpich-3.1
* Fri Feb 07 2014 Marcin Dulak <Marcin.Dulak@gmail.com> 6.3.2-7
  - exclude ppc64 on el6
* Fri Feb 07 2014 Marcin Dulak <Marcin.Dulak@gmail.com> 6.3.2-6
  - common is noarch
  - LICENSE* in common
  - %config(noreplace) %{_sysconfdir}/profile.d/* + more explicit glob
  - shorten %description and %summary
  - use serial atlas (-lsatlas)
  - export BLAS_SIZE=4
  - fdupes removed: runs twice (for i686 and x86_64) and exchanges links on
    these two platforms, giving: BuildError: mismatch when analyzing ...
* Sat Jan 25 2014 Marcin Dulak <Marcin.Dulak@gmail.com> 6.3.2-5
  - ExcludeArch: %arm
* Fri Jan 24 2014 Marcin Dulak <Marcin.Dulak@gmail.com> 6.3.2-4
  - the idea of %optflags dropped, resulting executables were broken
* Tue Jan 14 2014 Marcin Dulak <Marcin.Dulak@gmail.com> 6.3.2-3
  - https://bugzilla.redhat.com/show_bug.cgi?id=984605#c12: timestamps
* Wed Nov 06 2013 Marcin Dulak <Marcin.Dulak@gmail.com> 6.3.2-2
  - update version
  - explicitly set ARMCI_NETWORK=SOCKETS for serial build
  - dependency on openssh-clients for serial build
  - use tatlas on Fedora >= 21
  - basis are now under src/basis/libraries
* Wed Jul 10 2013 Marcin Dulak <Marcin.Dulak@gmail.com> 6.3.1-2
  - conform to http://fedoraproject.org/wiki/Packaging:MPI#Packaging_of_MPI_software
* Wed Jul 10 2013 Marcin Dulak <Marcin.Dulak@gmail.com> 6.3.1-1
  - adopted for Fedora and EPEL
  - split into the main and data package
* Mon Aug 13 2012 Marcin Dulak <Marcin.Dulak@fysik.dtu.dk> 6.1.1-1
  - restructured for build.opensuse.org and Fedora based on nwchem.spec
* Sat Feb 04 2012 Marcin Dulak <Marcin.Dulak@gmail.com> 6.1-1
  - USE_NOFSCHECK set to True
  - src/data/* installed under %{prefix}/share/%{prgname}/data
  - contrib/python/Gnuplot.py excluded
  - scalapack build on Fedora (for some reason libscalapack.a not found on build.opensuse.org)
  - {doc,web} directories not in source anymore
* Wed Dec 21 2011 Marcin Dulak <Marcin.Dulak@gmail.com> 6.1.pre6-1
  - allow pre releases to be built
  - fixed ga-5-0 configure problems on EL5 and openSUSE 11.3-12.1
* Mon Oct 31 2011 Marcin Dulak <Marcin.Dulak@gmail.com> 6.0-1
  - initial version

Files

/usr/lib/.build-id
/usr/lib/.build-id/48
/usr/lib/.build-id/48/3701106170320ac9d398ca82260a9fae4e6ef3
/usr/lib64/mpich/bin/nwchem_mpich

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Fabrice Bellet, Thu Dec 26 07:37:17 2024