Hello,
I installed AmberTools using pyenv conda.
Instead of installing the AmberTools at
~/.pyenv/versions/anaconda3-2020.11/bin or
~/.pyenv/versions/anaconda3-2020.11/lib/python3.8/site-packages,
AmberTool binary files were installed at ~/.pyenv/shims.
I would like to remove these files and install them at the conda env
of my choice, but I cannot remove them.
I used the following command to install by accident:
>$ conda install -c conda-forge ambertools
When I type the following:
>$ which antechamber
~/.pyenv/shims/antechamber
>$ which xleap
~/.pyenv/shims/xleap
A source package for these files was found at
~/.pyenv/versions/anaconda3-2020.11/pkgs/ambertools-21.9-py39h69e27f8_0
To remove them, I tried the following commands that resulted in the
same response from the terminal:
$ conda remove ambertools
$ conda remove ambertools -p ~/.pyenv/shims
"Collecting package metadata (repodata.json): done
Solving environment: failed
PackagesNotFoundError: The following packages are missing from the
target environment:
- ambertools"
I could execute > rm -rf ~/.pyenv/shims/antechamber and so on for all
amber-related binaries but I don't know where/what the linked library
files are.
My original intent was to install at a conda environment as provided
on the amber website.
Ex) ~/.pyenv/versions/anaconda3-2020.11/envs/AmberTools21/bin/antechamber
Finally, my system specifications are as follows:
Ubuntu 20.04
pyenv 1.2.26-3-gc010935a
conda 4.9.2
I can think of removing pyenv entirely, but I would like to avoid it
if possible.
I would appreciate any comment to resolve this issue.
Best regards,
Myung Keun "Tony" Cho
Ph. D. Candidate
Seoul, Korea
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Received on Tue Feb 22 2022 - 05:30:02 PST
