correctly pass down optimization flags in CP2K easyblock #1293
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I recently discovered that the optimisation flags that EasyBuild wants to use are not being passed down properly, only the
optarch
flag controlling the processor architecture to optimise for (e.g.-xHost
or--march=native
) was.This is probably for historical reasons, but I consider this a bug now.
The main impact is that compiler options related to floating-point correctness, like
-fp-model source
, are not being passed down, which may (significantly) impact accuracy of the obtained results.This change has made a big difference in the number of failing tests, see also the discussion in #1174.