-------------------------------------------------------------------------------- Fedora EPEL Update Notification FEDORA-EPEL-2020-47ed17c548 2020-03-27 13:17:07.056508 --------------------------------------------------------------------------------
Name : nwchem Product : Fedora EPEL 7 Version : 7.0.0 Release : 6.el7 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.
-------------------------------------------------------------------------------- Update Information:
fix to get rid of HYDRA_DEBUG on mpich -------------------------------------------------------------------------------- ChangeLog:
* Sun Mar 22 2020 Edoardo Apr�� edoardo.apra@gmail.com - 7.0.0-6 - fix to get rid of HYDRA_DEBUG on mpich - drop rhel6 support * Wed Mar 18 2020 Edoardo Apr�� edoardo.apra@gmail.com - 7.0.0-5 - switch to ga 5.7-2.3 - enabled arm, aarch64 and ppc64le architectures - removed libibverbs-devel, ncurses-devel, zlib-devel and readline-devel - perl-File-Basename rpm needed on fedora 33 - 32bit build needed for arm - added patch to fix solvation failures on ppc64le * Fri Mar 6 2020 Edoardo Apr�� edoardo.apra@gmail.com - 7.0.0-4 - work-around for openmpi 4.0.1 segfault - skip tests for rhel6 mpich - fix for pspw when peigs is not available and scalapack is - fix for mcscf when peigs is not available and scalapack is - Using tarball from 7.0.0 official release * Wed Jan 29 2020 Fedora Release Engineering releng@fedoraproject.org - 7.0.0-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Tue Jan 21 2020 Marcin Dulak Marcin.Dulak@gmail.com - 7.0.0-2 - new upstream snapshot release * Fri Oct 4 2019 Marcin Dulak Marcin.Dulak@gmail.com - 7.0.0-1 - new upstream snapshot release * Fri Aug 30 2019 Marcin Dulak Marcin.Dulak@gmail.com - 6.8.2-1 - new upstream snapshot release - switch to python3 br on fedora >= 30 bug #1738065 * Thu Jul 25 2019 Fedora Release Engineering releng@fedoraproject.org - 6.8.1-11 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild * Mon Jun 3 2019 Marcin Dulak Marcin.Dulak@gmail.com - 6.8.1-10 - removal of tcsh br requires a patch https://github.com/nwchemgit/nwchem/issues/120 * Mon Jun 3 2019 Marcin Dulak Marcin.Dulak@gmail.com - 6.8.1-9 - remove br tcsh since it's orphaned in Fedora 30 --------------------------------------------------------------------------------
This update can be installed with the "yum" update programs. Use su -c 'yum update nwchem' at the command line. For more information, refer to "YUM", available at https://access.redhat.com/documentation/en-US/Red_Hat_Enterprise_Linux/7%5C /html/System_Administrators_Guide/ch-yum.html
All packages are signed with the Fedora EPEL GPG key. More details on the GPG keys used by the Fedora Project can be found at https://fedoraproject.org/keys --------------------------------------------------------------------------------
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