Re: [AMBER-Developers] [david.case.rutgers.edu: Re: Amber 'configure' now forcing miniconda?]

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Thu, 22 Dec 2016 17:25:38 -0500

such a productive day. delete and revert again.

I just bring scipy and cython back. Thanks Jason for your argument.

cheers
Hai

On Thu, Dec 22, 2016 at 4:52 PM, Nhai <nhai.qn.gmail.com> wrote:

> Hi
>
> I just excluded scipy from configure. But I am ok to revert it back since
> you have more experience than I am. (And always make sense :d).
>
> Hai
>
> > On Dec 22, 2016, at 4:39 PM, Jason Swails <jason.swails.gmailcom> wrote:
> >
> >> On Thu, Dec 22, 2016 at 12:06 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> >>
> >> Just FYI: I made some changes for configure. Please feel free to reword.
> >>
> >> - won't install scipy to reduce size (Pengfei is ok with this). The
> >> Miniconda size is reduced by half now.
> >>
> >
> > ​I'm personally -1 on this. scipy is used in some obscure places, like
> > minimizing structures within ParmEd using the sander API, for example.
> If
> > we're doing this for typical Amber users, we should assume that anything
> in
> > our Pythoniverse that doesn't work "out-of-the-box" is something that
> those
> > users will not be able to get to work without frustration and irritation.
> > So if removing a package results in any kind of feature reduction, that
> > should be explicitly requested rather than default behavior (and even
> then,
> > you should think carefully about whether adding the complexity of yet
> > another configure-time choice is justified by the benefit of this option
> --
> > my feeling here is 'no').
> >
> > - only install cython if we are using unreleased version (by checking
> >> mkrelease_at file)
> >>
> >
> > ​Same as above, although I think our release versions come pre-cythonized
> > and therefore this is unnecessary.
> >
> > ​All the best,
> > Jason
> >
> > --
> > Jason M. Swails
> > _______________________________________________
> > AMBER-Developers mailing list
> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
>
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Received on Thu Dec 22 2016 - 14:30:02 PST
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