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Fedora EPEL Update Notification
FEDORA-EPEL-2023-6bab1419cc
2023-06-20 00:32:32.426612
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Name        : nwchem
Product     : Fedora EPEL 9
Version     : 7.2.0
Release     : 2.el9
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:

Switch to flexiblas-openblas-openmp due to bug #2182460
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ChangeLog:

* Fri Jun  9 2023 Marcin Dulak <[email protected]> - 7.2.0-2
- Switch to flexiblas-openblas-openmp due to bug #2182460
* Tue Mar 28 2023 Marcin Dulak <[email protected]> - 7.2.0-1
- New upstream release
- Build with libxc support bug #2081873
- Remove %{ix86} support due to openmpi bug #2142304
* Thu Jan 19 2023 Fedora Release Engineering <[email protected]> - 
7.0.2-12
- Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild
* Fri Jul 22 2022 Fedora Release Engineering <[email protected]> - 
7.0.2-11
- Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild
* Mon Jun 13 2022 Python Maint <[email protected]> - 7.0.2-10
- Rebuilt for Python 3.11
* Thu Jan 20 2022 Fedora Release Engineering <[email protected]> - 
7.0.2-9
- Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild
* Thu Jul 22 2021 Fedora Release Engineering <[email protected]> - 
7.0.2-8
- Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild
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This update can be installed with the "yum" update programs.  Use
su -c 'yum update nwchem' at the command line.
For more information, refer to "YUM", available at
https://access.redhat.com/documentation/en-US/Red_Hat_Enterprise_Linux/7\
/html/System_Administrators_Guide/ch-yum.html

All packages are signed with the Fedora EPEL 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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