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jamesavery / fullerenes

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LUMI port: Compile with Cray compiler suite #10

Open jamesavery opened 11 months ago

jamesavery commented 11 months ago

Currently, the CMake setup is very GCC/GFortran-centric, with some GNU options hardcoded. This breaks compiles on LUMI, which uses the Cray Compiler Environment (CCE).

Need to clean up the CMakeList.txt to not assume GNU compilers (also useful for compiling on clang-based mac systems).

jamesavery commented 10 months ago

Now everything builds and runs. Last TODO before closing issue: sanity checks on results.