Re: [AMBER] FixCondaShebang persists

From: David A Case <>
Date: Thu, 14 Oct 2021 21:06:59 -0400

On Thu, Oct 14, 2021, German P. Barletta wrote:

>The broken symlink is created on lines 116-118 of *cmake_install.cmake*. If
>I comment out those lines, the installation seems to work fine and even
>python tools like *pdb4amber* seem to work, although of course I have no
>idea what I'm doing.

I can't seem to find any file called cmake_install.cmake. The place I see
that creates that symlink is at lines 253-256 of
amber20_src/cmake/UseMiniconda.cmake. There is it protected by a check to
make sure that the miniconda/bin/pip file actually exists.

The fact that I don't have the same files as you have probably explains why
we are not getting the same results. Can you say what folder this file is
in? Are you sure you have freshly extracted AmberTools21.tar.bz2 in a clean

(I may be missing something obvious, but I don't see what it is right now.)


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Received on Thu Oct 14 2021 - 18:30:02 PDT
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