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

Justin Lemkul jalemkul at vt.edu
Fri Apr 10 13:06:51 CEST 2020

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Our sysadmins keep our compilers and libraries fairly outdated, so this 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 A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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