Name: | nwchem |
---|---|
Version: | 6.8.1 |
Release: | 4.el7 |
Architecture: | x86_64 |
Group: | Unspecified |
Size: | 0 |
License: | ECL 2.0 |
RPM: | nwchem-6.8.1-4.el7.x86_64.rpm |
Source RPM: | nwchem-6.8.1-4.el7.src.rpm |
Build Date: | Mon Oct 15 2018 |
Build Host: | x86-ol7-builder-02.us.oracle.com |
Vendor: | Oracle America |
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. |
- requires ga rpm version >= 5.6.5-1
- minor cleanup - br libibverbs-devel
- 6.8.1 release tarball
- upstream update, sources are at github now - drop el6 support
- patch https://github.com/nwchemgit/nwchem/issues/41
- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
- restore nwchemrc
- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild