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@awvwgk, friendly ping :-) |
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Is the issue with the macos test here also the same as in #1292? In multicharge/#58 the problem is rather in the toml-f test |
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I have no idea. |
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Looks like it is better to test mctc with all combinations and return here again. |
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#1350 has the same issue. |
Signed-off-by: Igor S. Gerasimov <foxtranigor@gmail.com>
thfroitzheim
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Signed-off-by: Igor S. Gerasimov <foxtranigor@gmail.com> Signed-off-by: lmseidler <seidler118@gmail.com>
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Signed-off-by: Igor S. Gerasimov <foxtranigor@gmail.com> Signed-off-by: lmseidler <seidler118@gmail.com>
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It helps to compile xtb with LLVM Flang.
xtb + OpenMP + tblite works well with LLVM Flang 21.1.1. Some patches of tblite are necessary for compiling which are absent in v0.4.0.
See also grimme-lab/multicharge#57