Fedora Packages

nwchem

Delivering High-Performance Computational Chemistry to Science

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.

Releases Overview

Release Stable Testing
Fedora Rawhide 7.2.2-5.fc41 -
Fedora 40 7.2.2-4.fc40 -
Fedora 39 7.2.2-1.fc39 -
Fedora 38 7.0.2-12.fc38 -
EPEL 9 7.2.2-1.el9 -
EPEL 8 7.0.2-4.el8 -
EPEL 7 7.0.2-4.el7 -
File a new bug report »
Package Info
Related Packages

You can contact the maintainers of this package via email at nwchem dash maintainers at fedoraproject dot org.



Sources on Pagure