-------------------------------------------------------------------------------- Fedora EPEL Update Notification FEDORA-EPEL-2020-cfb18f2aad 2020-12-12 01:01:59.980584 --------------------------------------------------------------------------------
Name : nwchem Product : Fedora EPEL 7 Version : 7.0.2 Release : 4.el7 URL : https://nwchemgit.github.io/ 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: Patch for Python 3.10 -------------------------------------------------------------------------------- ChangeLog: * Tue Nov 24 2020 Marcin Dulak <[email protected]> - 7.0.2-4 - Patch for Python 3.10 - Compile with USE_NOIO=TRUE https://github.com/nwchemgit/nwchem/issues/272 * Sat Nov 21 2020 Marcin Dulak <[email protected]> - 7.0.2-3 - Replace OMP_NUM_THREADS=1 with FLEXIBLAS=openblas-serial to restore https://src.fedoraproject.org/rpms/flexiblas/c/4286c061697330a8d30d2cd3a1d20f018da81258 - Replace mentions of the old website with nwchemgit.github.io -------------------------------------------------------------------------------- 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\ /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 -------------------------------------------------------------------------------- _______________________________________________ epel-package-announce mailing list -- [email protected] To unsubscribe send an email to [email protected] Fedora Code of Conduct: https://docs.fedoraproject.org/en-US/project/code-of-conduct/ List Guidelines: https://fedoraproject.org/wiki/Mailing_list_guidelines List Archives: https://lists.fedoraproject.org/archives/list/[email protected]
