On Thu, Dec 15, 2022, Ursula Perez-Salas via AMBER wrote:
>
>I have a Mac OS 13 and I have now installed Amber22! However in the testing
>step ("make test.serial") I got several errors and failures -
>
>here is the summary:
>
>finished serial test suite for AmberTools at Mon Dec 12 11:01:48 CST 2022.
>
>2396 file comparisons passed
> 8 file comparisons failed ( 1 of which can be ignored)
> 4 tests experienced errors
You should look at the log files to see what failures and errors there are.
Post more specific info here. It would also help to know what compilers you
are using (especially what Fortran compiler, if you are setting CLANG as the
compiler in the run_cmake script.)
>
>I ran an additional test using this line suggested by Hai to someone else
>(I can't find the page where I read it!):
>
>"python3 -c "import sander"
Just type this in a terminal:
source /Applications/Amber/amber22/amber.sh
then try this:
python -c "import sander"
This is probably not going to work, but will elminate problems arising
from any possible mistakes in your startup files.
>Could not import the compiled Python-sander interface. Make sure you have
>the Python development libraries installed and that you have sourced
>amber.sh or amber.cshTraceback (most recent call last):
>File "", line 1, in
>File "/Applications/Amber/amber22/lib/python3.9/site-packages/sander/*init*.py",
>line 14, in
>from . import pysander as _pys
>ImportError: cannot import name 'pysander' from partially initialized
>module 'sander' (most likely due to a circular import)
>(/Applications/Amber/amber22/lib/python3.9/site-packages/sander/*init*.py)
I hope the python gurus on the list can offer some insight here. You might
report the result of the following command
ls -l /Applications/Amber/amber22/lib/python3.9/site-packages/sander
...thanks...dac
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Received on Fri Dec 16 2022 - 06:00:02 PST
