[gmx-developers] Update to compiler and library requirements for GROMACS 2021

Erik Lindahl erik.lindahl at gmail.com
Fri Apr 10 17:37:12 CEST 2020


Hi Justin,

How outdated are they?

As an example, Ubuntu-18.04 should support it out-of-the-box, and that
version will be close to 3 years old when GROMACS-2021 is released (and the
previous LTS won't even be supported beyond April 2021).

I have less experience with RedHat/CentOS, because I'm not that much into
OS masochism :-)

Cheers,

Erik


On Fri, Apr 10, 2020 at 1:06 PM Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 4/9/20 4:40 AM, Paul bauer wrote:
> > Hello GROMACS developers,
> >
> > we discussed some updates to the current compiler and standard library
> > requirements for GROMACS 2021 during the developer teleconference
> > yesterday that I also want to share with the broader community.
> >
> > Our plans are to require a C++17 standard compliant compiler starting
> > with GROMACS 2021, as well as a C++17 standard library.
> > If you think that the requirements for the standard library are too
> > harsh for older systems, we might work around this, but would then
> > still prefer updating the compiler requirements only.
> >
> > We are aware that this might be a quite large change to the current
> > requirements, so please let us know your comments about this.
> >
>
> Our sysadmins keep our compilers and libraries fairly outdated, so this
> may be a big challenge for us. I can let them know about upcoming
> requirements, but I do not know if they will provide new compilers and
> the updated C++ library.
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Assistant Professor
> Office: 301 Fralin Hall
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> Virginia Tech Department of Biochemistry
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>
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-- 
Erik Lindahl <erik.lindahl at dbb.su.se>
Professor of Biophysics, Dept. Biochemistry & Biophysics, Stockholm
University
Science for Life Laboratory, Box 1031, 17121 Solna, Sweden
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