Recent developments to NESO and NESO-Particles require using a later oneapi compiler version e.g. 2024. This no longer has the classic compilers in. See issue #260.
Spack 0.19 does not have oneapi@2024 so README updated to suggest using later version. See issue #261
Old 1D stuff that requires FFT has been removed as per suggestion
Some minor changes to code to work with newer compilers
Fixes # (issue)
Type of change
Please delete options that are not relevant.
[ ] Bug fix (non-breaking change)
[ ] Requires documentation updates
Testing
Please describe the tests that you ran to verify your changes and provide instructions for reproducibility. Please also list any relevant details for your test configuration.
[ ] Test Foo in /test/path/to/file_for_test_Foo.cpp
Description of test Foo
[ ] Test Bar in /test/path/to/file_for_test_Bar.cpp
Description of test Bar
Test Configuration:
OS: Ubuntu 24.04
SYCL implementation: oneapi 2025 / hipsycl 0.9.4
MPI details: oneapi-mpi 2021.14.0 / mpich 4.2.3
Hardware: Dell Intel Evo
Checklist:
[ ] I have added tests that prove my fix is effective or that my feature works
[ ] New and existing unit tests pass locally with my changes
[ ] Any new dependencies are automatically built for users via cmake
[ ] I have used understandable variable names
[ ] I have run clang-format against my *.hpp and *.cpp changes
[ ] I have run cmake-format against my changes to CMakeLists.txt
[ ] I have run black against changes to *.py
[ ] I have made corresponding changes to the documentation
[ ] I have performed a self-review of my own code
[ ] I have commented my code, particularly in hard-to-understand areas
Description
Recent developments to NESO and NESO-Particles require using a later oneapi compiler version e.g. 2024. This no longer has the classic compilers in. See issue #260. Spack 0.19 does not have oneapi@2024 so README updated to suggest using later version. See issue #261
Old 1D stuff that requires FFT has been removed as per suggestion
Some minor changes to code to work with newer compilers
Fixes # (issue)
Type of change
Please delete options that are not relevant.
Testing
Please describe the tests that you ran to verify your changes and provide instructions for reproducibility. Please also list any relevant details for your test configuration.
Test Configuration:
Checklist:
cmakeclang-formatagainst my*.hppand*.cppchangescmake-formatagainst my changes toCMakeLists.txtblackagainst changes to*.py