On Tue, Nov 12, 2024, Guberman-Pfeffer, Matthew via AMBER wrote:
>
>I’m trying to use a program that requires the SANDER API, but it
>apparently is not install as part of my standard AMBER22 installation. How
>do I re-compile to install the SANDER API?
It's not clear why you think that the sander api is not installed. If you
have executed the $AMBERHOME/amber.sh script, your PYTHONPATH variable
should start with something like "$AMBERHOME/lib/python3.12/site-packages".
Check that first.
The way to see if the sander api is installed is to start python, and type
"import sander" at the prompt.
Apologies if you have already done all this. If the sander module is indeed
not available, you should look at the cmake.log file to see if there are any
problems there. If you have not done this, try asking cmake to download
miniconda: that will (among other things), create an "amber.python" link
in $AMBERHOME/bin. That will point to a python that was installed when you
installed Amber, and might have the best chance of knowing about the sander
module.
If none of this works, we will need to know a lot more about your
environment: which python you are running, what your PYTHONPATH variable is,
how you installed Amber, what is the "program that requires the SANDER API",
etc.
...dac
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Received on Tue Nov 12 2024 - 11:30:02 PST
