Fedora 32 Update: nwchem-7.0.2-4.fc32
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Fedora Update Notification
FEDORA-2020-d632516da5
2020-12-06 02:53:53.257000
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Name : nwchem
Product : Fedora 32
Version : 7.0.2
Release : 4.fc32
URL : https://nwchemgit.github.io/
Summary : Delivering High-Performance Computational Chemistry to Science
Description :
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)
There is currently no serial version built.
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Update Information:
Patch for Python 3.10
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ChangeLog:
* Tue Nov 24 2020 Marcin Dulak <Marcin.Dulak(a)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(a)gmail.com> - 7.0.2-3
- Replace OMP_NUM_THREADS=1 with FLEXIBLAS=openblas-serial to restore
https://src.fedoraproject.org/rpms/flexiblas/c/4286c061697330a8d30d2cd3a1...
- Replace mentions of the old website with nwchemgit.github.io
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This update can be installed with the "dnf" update program. Use
su -c 'dnf upgrade --advisory FEDORA-2020-d632516da5' at the command
line. For more information, refer to the dnf documentation available at
http://dnf.readthedocs.io/en/latest/command_ref.html#upgrade-command-label
All packages are signed with the Fedora Project GPG key. More details on the
GPG keys used by the Fedora Project can be found at
https://fedoraproject.org/keys
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