Re: [AMBER] Installing latest ambertools (2020) with conda

From: Alan <alanwilter.gmail.com>
Date: Thu, 28 May 2020 15:04:48 +0200

Thanks David,

It could be my Mac, it's such a mess with brew, pip and now anaconda. In
the end I did:

conda create --name amber --no-default-packages

conda activate amber

conda install -c conda-forge ambertools

And now I have it working.

On Thu, 28 May 2020 at 14:59, David A Case <david.case.rutgers.edu> wrote:

> On Thu, May 28, 2020, Alan wrote:
> >
> >I'm on macOS 10.15.4 with brew and anaconda (both updated) and I'm trying:
> >
> >conda install -c conda-forge ambertools
> >
> >It's printing this:
> >
> >Collecting package metadata (current_repodata.json): done
> >Solving environment: failed with initial frozen solve. Retrying with
> >flexible solve.
> >Solving environment: failed with repodata from current_repodata.json, will
> >retry with next repodata source.
> >Collecting package metadata (repodata.json): done
> >Solving environment: failed with initial frozen solve. Retrying with
> >flexible solve.
> >Solving environment: /
> >Found conflicts! Looking for incompatible packages.
> >This can take several minutes. Press CTRL-C to abort.
> >Examining conflict for spyder python-language-server pylint anaconda: 89%
> >
> >More than 2 hours and haven't finished yet. It was not supposed to be like
> >that, right?
>
> This works for me, on MacOS 10.15.4 with conda from a previous miniconda
> installation via AmberTools; I'm using python3.7. (Is it possible you
> are using python2.7? That may not have been tested, or even work.)
>
> My miniconda installation doesn't have any of the conflicts mentioned
> above, so that might explain things. But none of those programs should
> conflict with anything in AmberTools (as far as I know).
>
> Google hits suggest that this might be related to an anaconda bug:
>
>
> https://stackoverflow.com/questions/58216917/create-conda-environment-found-conflicts-when-solving-environment-and-findi
>
> It's possible that activating a new conda environment might help:
>
>
> https://stackoverflow.com/questions/57518050/conda-install-and-update-do-not-work-also-solving-environment-get-errors
>
> It's not my intent to blame you or anaconda, and there could well be
> something to fix in our AmberTools20 package. But I've encountered this
> "found conflicts!" message in non-Amber-related work, and the search for
> incompatible packages never stopped.
>
> I'm cc-ing to jaime.rodriguez-guerra.choderalab.org, the creator of the
> package, and someone who knows way more about conda and conda-forge than
> I do.
>
> ...thansk for the report...dac
>
>
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>


-- 
Alan Silva 🚲🏊‍♂🏃‍♂🇧🇷🇫🇷🇬🇧
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Received on Thu May 28 2020 - 06:30:02 PDT
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