Dear Developers,
Though each upgrade contains a lot of exciting new features, this time I am
excited to use QUICK. However, it will be really helpful if it could also
support an open-shell system. This will make Amber as a *complete*
computational chemistry package, and we will no longer be *heavily* dependent
on external QM packages. I hope (and wish) that we shall avail this in the
future updates.
Regards
Kshatresh
On Fri, Apr 30, 2021 at 5:56 PM David A Case <david.case.rutgers.edu> wrote:
> On Fri, Apr 30, 2021, Gustaf Olsson wrote:
>
> >Against advice on the install page I went with gfortran10 because I was
> curious.
> >
> > Apple clang version 12.0.0 (clang-1200.0.32.29)
> > GNU Fortran (Homebrew GCC 10.2.0_4) 10.2.0
> > Open MPI 4.1.1
> > Xcode Version 12.4 (12D4e)
> > macOS Catalina version 10.15.7
> > 2,5 GHz Dual-Core Intel Core i7
>
> Your experience is in accord with ours. I didn't want to make the
> installation page too complex, but here is what I think is the case:
>
> * gfortran10 from either macports or homebrew is fine
> * gfortran10 from github.com/xcoudert is fine *if* you have Xcode version
> 12.4
> or below
> * gfortran10 from github.com/xcoudert fails for users that have upgraded
> Xcode to version 12.5 :-(
>
> We should update the InstMacOS page some, to provide more information,
> especially for users that already have macports or homebrew installed.
> They
> can easily get cmake and gfortran from their package manager. The current
> instructions are intended to be the simplest steps for other users.
>
> ...thanks for the info....dac
>
>
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>
--
With best regards
************************************************************************************************
Dr. Kshatresh Dutta Dubey
Department of Chemistry
School of Natural Sciences
Shiv Nadar University
Gautam Budhha Nagar
Uttar Pradesh-201314
India
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Received on Sat May 01 2021 - 05:00:03 PDT
