[ol8_developer_EPEL] nwchem-openmpi-7.0.2-4.el8.aarch64

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 openmpi version.

Changelog (Show File list) (Show related packages)

• 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