Re: [AMBER] FixCondaShebang persists

From: Stephan Schott <>
Date: Thu, 14 Oct 2021 16:05:17 +0200

Hi Dave,
I had this issue some time ago, so I gave it a try now to see if I can
replicate it. I also had trouble with pip, and it seems that the conda
update (line 152 of UseMiniconda.cmake) causes pip to be removed (at least
under Linux). Then, as pip is never explicitly requested, it is never
installed again, and makes pip to be missing. Now, the issue there is that
if cmake fails to update the shebang of amber.pip, it apparently also fails
to update the shebang of other python scripts. Can someone else try to
replicate this independently? I think forcing pip to be installed could be
a quick solution, but maybe someone has an idea why the conda update causes
the uninstall on the first place.

El jue, 14 oct 2021 a las 15:15, David A Case (<>)

> On Thu, Oct 14, 2021, German P. Barletta wrote:
> >-- Fixing Miniconda script shebangs
> >CMake Error at
> >/home/pbarletta/amber20_src/cmake/FixCondaShebang/FixCondaShebang.cmake:26
> >(file):
> > file failed to open for reading (No such file or directory):
> >
> > /home/pbarletta/amber20//bin/amber.pip
> Thanks for the extra information. Try one more thing:
> ls -l /home/pbarletta/amber20//bin/amber.pip
> I'm trying to find out if this is a broken symlink, or there is no file at
> all. But basically, I am stuck: there is something about your
> system that is different from mine, but I don't quite know where to look.
> Again, the good news: this is the *last thing* that the installation script
> does, and you don't need amber.pip anyway. So ignoring the message should
> be fine.
> ...thx...dac
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> AMBER mailing list

Stephan Schott Verdugo
Heinrich-Heine-Universitaet Duesseldorf
Institut fuer Pharm. und Med. Chemie
Universitaetsstr. 1
40225 Duesseldorf
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Received on Thu Oct 14 2021 - 07:30:02 PDT
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