Name: | nwchem-mpich |
---|---|
Version: | 7.2.1 |
Release: | 1.el9 |
Architecture: | x86_64 |
Group: | Unspecified |
Size: | 92313614 |
License: | ECL 2.0 |
RPM: | nwchem-mpich-7.2.1-1.el9.x86_64.rpm |
Source RPM: | nwchem-7.2.1-1.el9.src.rpm |
Build Date: | Tue Oct 31 2023 |
Build Host: | build-ol9-x86_64.oracle.com |
Vendor: | Oracle America |
URL: | https://nwchemgit.github.io/ |
Summary: | nwchem - mpich 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 mpich version. |
- New upstream release
- Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild
- Rebuilt for Python 3.12
- Switch to flexiblas-openblas-openmp due to bug #2182460
- New upstream release - Build with libxc support bug #2081873 - Remove %{ix86} support due to openmpi bug #2142304
- Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild
- Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild
- Rebuilt for Python 3.11
- Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild