nwchem-openmpi Subpackage of nwchem
nwchem - openmpi version
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) This package contains the openmpi version.
Releases Overview
| Release | Stable | Testing |
|---|---|---|
| Fedora Rawhide | 7.0.2-8.fc35 | - |
| Fedora 35 | 7.0.2-8.fc35 | - |
| Fedora 34 | 7.0.2-6.fc34 | - |
| EPEL 8 | 7.0.2-4.el8 | - |
| EPEL 7 | 7.0.2-4.el7 | - |
- Upstream: https://nwchemgit.github.io/
- License(s): ECL 2.0
- Maintainer: marcindulak
Related Packages
You can contact the maintainers of this package via email at
nwchem dash maintainers at fedoraproject dot org.
Sources on Pagure