On Thu, Apr 15, 2021, 石谷沁 wrote:
>
>I’m here again…so I successfully installed the serial AMBER packages.
>
>make test.serial works well except for 1 error on pytraj test.
>
>The traceback showed that program correctly used the python3.8 in miniconda
>(which was installed automatically during AMBER build)
>
>Below is the full message. Does it related to other python packages of the
>Linux platform?
>
>ModuleNotFoundError: No module named 'pytraj'
> To supplement, python was installed via Miniconda. I followed the prompts
> during build and make.
This problem comes up a lot. As best I can tell, "older" miniconda python
installations are missing something that is needed to build pytraj. The
current install procedure (in AmberTools20) seems to be working.
I'm cc-ing to Hai in case he has any way of debugging this problem. The
build scripts don't fail (although there may be some error message hidden in
there), but the pytraj module is not found.
If you try a fresh install of AmberTools20 using cmake, I think you should
get a functioning pytraj.
(Of course, if you are not planning to use pytraj, you can ignore the
failure....)
...good luck....dac
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Received on Thu Apr 15 2021 - 05:30:04 PDT
