Name: | nwchem-openmpi |
---|---|
Version: | 6.8.1 |
Release: | 8.el7 |
Architecture: | x86_64 |
Group: | Unspecified |
Size: | 91193736 |
License: | ECL 2.0 |
RPM: | nwchem-openmpi-6.8.1-8.el7.x86_64.rpm |
Source RPM: | nwchem-6.8.1-8.el7.src.rpm |
Build Date: | Wed Jun 05 2019 |
Build Host: | x86-ol7-builder-01.us.oracle.com |
Vendor: | Oracle America |
URL: | http://www.nwchem-sw.org/ |
Summary: | nwchem - openmpi version |
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) This package contains the openmpi version. |
- explicit mpi related requires on epel7/epel6
- Rebuild for openmpi 3.1.3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
- protect yourself from Fedora changing rpm macros: no python_version available in f29
- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
- 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