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Fedora EPEL Update Notification
FEDORA-EPEL-2020-c9e07d1ce2
2020-03-27 13:22:20.189589
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Name : nwchem
Product : Fedora EPEL 8
Version : 7.0.0
Release : 6.el8
URL :
http://www.nwchem-sw.org/
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:
fix to get rid of HYDRA_DEBUG on mpich
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ChangeLog:
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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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