On Wed, Jul 22, 2020, Huang Tao wrote:
>
>When I tried to use pdb4amber after the installation of AMBER20, one error
>happened.
>
>"importlib_metadata.PackageNotFoundError: No package metadata was found for
>pdb4amber"
>
>I have checked the first line of pdb4amber file under $AMBER_HOME/bin. The
>first line is as following.
>
>#!$AMBER_HOME//miniconda/bin/python
1. Can you say when you built Amber20? There has been a recent change in
what miniconda does that seems to affect pytraj and pdb4amber. Did you
make any changes to the run_cmake script?
I think we may know what to do here, and (if so), we will publish a update
soon. (cc-ing to Jason)
Possible aside:
The reference to $AMBER_HOME is very odd: the "amber.sh" script (in your
installation folder), and everything else we use, uses $AMBERHOME (no
underscore). We are trying to make things independent of this variable, but
there are still places that refer to $AMBERHOME. Do you have that also set on
your machine? Do you know if you did something non-standard to get
$AMBER_HOME? This may be unrelated to your pdb4amber problem, but using a
non-standard name here is likely to lead to trouble.
...regards...dac
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Received on Wed Jul 22 2020 - 05:00:03 PDT
