set SIMDD with CMake configure_file #21
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I had made this pull request off an old commit. It's updated now. |
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This change is intended to prevent errors such as pyscf/pyscf#1855 from occurring.
Currently, the definition of SIMDD in
cint.hdepends on the flags passed to the compiler. If code that uses qcint is not compiled with the same flags as qcint itself, then it may assume a different value of SIMDD and access CINTEnvVars incorrectly.I think it's a good idea for SIMDD be determined ahead of time using
check_c_source_runsand then written tocint.h.This should ensure that downstream code gets the right value of SIMDD no matter what compile flags are used. Let me know what you think!