7.2.2 [ci skip]

release.notes.7.2.2.md

@@ -0,0 +1,54 @@
+NWChem Version 7.2.2 Release Notes
+==================================
+
+NWChem is now available on Github at
+https://github.com/nwchemgit/nwchem
+
+User Manual available from the NWChem website
+https://nwchemgit.github.io
+
+NWChem 7.2.2 is released as open-source under the ECL 2.0 license.
+
+NWChem 7.2.2 will be released with the latest Global Arrays Toolkit (v5.8.2).
+
+The  7.2.2 release is a maintenance release containing fixes/enhancements for the NWChem 7.2.0 tree
+
+The change log below is relative to the 7.2.0 code base.
+
+NEW FUNCTIONALITY
+-----
+
+   N/A
+
+
+BUG FIXES/ENHANCEMENTS
+-----
+
+* header of the output file prints version 7.2.2
+
+* various fixes for big endian architectures (e.g.: sparc64, s390x)
+
+* compilation fixes for 64-bit architectures other than x86_64 and aarch64
+
+* fix compilation for Cray compilers
+
+* fixes for macOS Xcode 15
+
+* fixes for Intel OneAPI 2023 releases
+
+* memory fixes for ARMCI_NETWORK=MPI-PR https://github.com/GlobalArrays/ga/pull/310
+
+GITHUB ISSUES ADDRESSED
+----
+   * [pyqa3: Segmentation fault on Python 3.12](https://github.com/nwchemgit/nwchem/issues/892)
+   * [Shifter Image Parallelization Issues](https://github.com/nwchemgit/nwchem/issues/775)
+   * [Custom dielectric constant is ignored in COSMO calculations](https://github.com/nwchemgit/nwchem/issues/776)
+   * [NMR hyperfine coupling when wavefunction is closed-shell](https://github.com/nwchemgit/nwchem/issues/788)
+   * [Triplet CDSpectrum calculations failing](https://github.com/nwchemgit/nwchem/issues/796)
+   * [7.2.0 fails computing gradients of bare ECPs](https://github.com/nwchemgit/nwchem/issues/801)
+   * [SegV when USE_INTERNALBLAS=1 for version 7.2.0](https://github.com/nwchemgit/nwchem/issues/804)
+   * [Undefined symbol "ycnrm2"](https://github.com/nwchemgit/nwchem/issues/817)
+   * [Wrong symmetry assignments in TDDFT](https://github.com/nwchemgit/nwchem/issues/828)
+   * [GW might lead to incorrect results when symmetry is on](https://github.com/nwchemgit/nwchem/issues/829)
+   * [ch5n_nbo QA test fails](https://github.com/nwchemgit/nwchem/issues/864)
+