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SIRIUS/7.5.0

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@toxa81 toxa81 released this 23 Nov 09:20
· 1 commit to master since this release
8166bae

This release contains the following updates:

  • switch to C++17
  • improvements to CMake build system (CMake >= 3.23 is now required) to have a better support for CUDA and ROCm
  • scoped names for predefined macros
  • improved spack recipe
  • memory pool is now provided by Umpire; custom memory pool is removed
  • bindings to DLA-F library to solve eigenvalue problem
  • more logic in source code and namespace structuring
  • improvements to python module
  • improvements to the CI/CD setup
  • fixes to linear solver interface
  • new implementation of split index with iterators
  • refactoring of mdarray class
  • get rid of Band class in favour of pure functions
  • remove optional dependency on boost::filesystem
  • apply source code formatting and enable formatting check for each PR