release.notes.7.0.1

NWChem Version 7.0.1 Release Notes

NWChem is now available on Github at
https://github.com/nwchemgit/nwchem

New User Manual wiki pages at
https://github.com/nwchemgit/nwchem/wiki

NWChem 7.0.1 is released as open-source under the ECL 2.0 license.

NWChem 7.0.1 will be released with the latest Global Arrays Toolkit (v5.7.2).

The  7.0.1 release is a maintenance release containing fixes/enhancements for the NWChem 7.0.0 tree

NEW FUNCTIONALITY 

   N/A
   

BUG FIXES/ENHANCEMENTS

    * nwpw module: fixed error in reading semicore-stress
    
    * nwpw module: fix for case when peigs is not available and scalapack is
    
    * mcscf module: fix for case when peigs is not available and scalapack is
    
    * made more Python examples Python 3 compatible 

    * switch to Global Arrays version 5.7.2
    
    * gcc 10 fixes
    
    * bug fixes for DFTMP2 https://github.com/nwchemgit/nwchem/issues/246
    
    * bug fixes for xcamb88 https://github.com/nwchemgit/nwchem/issues/223
    
    * improved scripts for the creating of linear algebra libraries using the env. variables BUILD_OPENBLAS and BUILD_SCALAPACK