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@Albkat Albkat commented Dec 22, 2023

Address the issue of the new ifort version not compiling programs by temporarily reverting CI to an older version of ifort as a workaround, until ifx is fully integrated.

Signed-off-by: albert <92109627+Albkat@users.noreply.github.com>
awvwgk
awvwgk previously approved these changes Dec 22, 2023
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awvwgk commented Dec 22, 2023

Maybe also add a hint for the upper bound of ifort in the README

Signed-off-by: Albert Katbashev <akatbashev@gmail.com>
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Albkat commented Dec 25, 2023

Maybe also add a hint for the upper bound of ifort in the README

Thanks, the hint is added.
Since I don't have access to any CUDA machines, I still lack information on the PGI build. However, this should be irrelevant for the current pull request.

@awvwgk awvwgk merged commit 6933e33 into grimme-lab:main Dec 25, 2023
gorges97 pushed a commit to gorges97/xtb that referenced this pull request Mar 27, 2024
* temporary fix for CI

Signed-off-by: albert <92109627+Albkat@users.noreply.github.com>

* add compiler information

Signed-off-by: Albert Katbashev <akatbashev@gmail.com>

---------

Signed-off-by: albert <92109627+Albkat@users.noreply.github.com>
Signed-off-by: Albert Katbashev <akatbashev@gmail.com>
Signed-off-by: Johannes Gorges <58849467+gorges97@users.noreply.github.com>
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