702 release notes [ci skip]

nwchemgit · Oct 13, 2020 · 3f978f3 · 3f978f3 · mbanck · Oct 13, 2020
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+NWChem Version 7.0.2 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 7.0.2 is released as open-source under the ECL 2.0 license.
+
+NWChem 7.0.2 will be released with the latest Global Arrays Toolkit (v5.7.2).
+
+The  7.0.2 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 
+    * fixes for MacOS Xcode 12 
+