Re: [AMBER-Developers] Amber 'configure' now forcing miniconda?

From: David Case <>
Date: Fri, 23 Dec 2016 21:00:25 -0500

On Fri, Dec 23, 2016, Jason Swails wrote:
> My logic here is that anybody that has Anaconda or Miniconda is actively
> using Python as part of their standard toolkit, and we should do what
> we can to work as part of it. They also presumably know how to use it
> enough to install the packages we need....

OK by me, espcially since you have noted before that problems can arise if one
has several conda installations on the same machine.

> Another thing we can (should?) do, which is standard in many Python
> packages, is provide a requirements.txt file. Then we can offer the users
> a helpful command to install all prerequisites:
> # conda-based Python installations:
> conda install --yes --file requirements.txt

Yes to this as well.

> If we're going to prompt users on whether they want to install Python or
> not, why not just change that prompt for users that have conda to "do you
> want to use your existing miniconda/anaconda installation or have Amber
> download its own?" -- no need to bring extra flags into this if we don't
> have to :).


> The main reason I suggested making it default was because *not* doing that
> would end up raising that question (or requiring the flag) every time
> someone decided to run configure....

I think that people who are repeatedly installing Amber will figure out that
using something like "--with-python `which python`" will enable them to avoid
being asked questions at configuration time. The main target audience for
configure2 are users, even first-time users. If life is marginally harder for
seasoned developers, I'm OK with that.


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Received on Fri Dec 23 2016 - 18:30:02 PST
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