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Description

This PR solves an issue with the use of the native optimization flags, which are different in various compilers and often get misinterpreted. It looks like the best solution is to first check the brand of the compiler, and then try whether the brand-specific flag(s) work.

Related issues https://gitlab.com/libxc/libxc/-/issues/361 and #2023

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  • Feature1
  • Feature2

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  • Ready for review
  • Ready for merge

@loriab
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loriab commented Dec 7, 2021

If this is the only way that works, so be it. But have you tried adding "-tp host" to the list? provided there isn't another compiler that implements that flag for another purpose, it theoretically should work.

@loriab loriab added the build label Dec 7, 2021
@susilehtola
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If this is the only way that works, so be it. But have you tried adding "-tp host" to the list? provided there isn't another compiler that implements that flag for another purpose, it theoretically should work.

The point is that it's excluded since the checks are compiler vendor specific, e.g. -tp host is only checked for PGI.

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@hokru hokru left a comment

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lgtm

@hokru hokru merged commit f016cba into psi4:master Dec 13, 2021
@loriab loriab mentioned this pull request Dec 16, 2021
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@loriab loriab added this to the Psi4 1.6 milestone Dec 17, 2021
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5 participants