-------------------------------------------------------------------------------- Fedora EPEL Update Notification FEDORA-EPEL-2019-4c417b9a2b 2019-06-04 15:28:22.573015 --------------------------------------------------------------------------------
Name : nwchem Product : Fedora EPEL 7 Version : 6.8.1 Release : 8.el7 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.
-------------------------------------------------------------------------------- Update Information:
explicit mpi related requires on epel7/epel6 -------------------------------------------------------------------------------- References:
[ 1 ] Bug #1704259 - MPI versions need to require correct ga package https://bugzilla.redhat.com/show_bug.cgi?id=1704259 --------------------------------------------------------------------------------
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%5C /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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