On Mon, Sep 13, 2021, Oscar Conchillo-Solé wrote:
>
>1 (ls -l of amber.pip)
>lrwxrwxrwx 1 ocs users 58 Sep 10 14:37
>/sharelab/labapps/AMBER/CentOS-8/Amber20/bin/amber.pip ->
>/sharelab/labapps/AMBER/CentOS-8/Amber20/miniconda/bin/pip
>(empty link,
>/sharelab/labapps/AMBER/CentOS-8/Amber20/miniconda/bin/pip des not
>exists)
This is fixed in update.7 for AmberTools21. Be sure to use update_amber to
get up to date, (and use the --upgrade option is you are still using
AmberTools20.)
>Testing the Python LES API
>/sharelab/labapps/AMBER/CentOS-8/Amber20//miniconda/bin/python test.py
>Could not import sanderles. Skipping test
>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.csh
First, check your PYTHONPATH variable (which is set in the amber.sh file).
Second, look at your cmake.log file for errors related to python. Third,
re-run "make install" and study the output to see if there are messages
related to python.
....dac
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Received on Mon Sep 13 2021 - 06:00:02 PDT
