diff --git a/release.notes.7.2.2.md b/release.notes.7.2.2.md new file mode 100644 index 0000000000..6a58dbfc28 --- /dev/null +++ b/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) +