[gmx-users] g++ compiling with gromacs library

Alexander Tzanov Alexander.Tzanov at csi.cuny.edu
Wed Nov 21 21:18:02 CET 2018

Use -I/path to your include directory in CFLAGS.

On Nov 21, 2018 2:59 PM, David van der Spoel <spoel at xray.bmc.uu.se> wrote:
Den 2018-11-21 kl. 19:09, skrev Kit Sang Chu:
> Hi everyone,
> I have a Makefile from my colleague and I am trying to make it compile. I
> have given the library path but the problem persists.
> g++ -I /home/simon/Softs/gromacs-5.1/opt GlyRot.cpp -o GlyRot.o -Wall -c

-I /home/simon/Softs/gromacs-5.1/opt/include

> GlyRot.cpp:8:10: fatal error: gromacs/commandline.h: No such file or
> directory
>   #include "gromacs/commandline.h"
>            ^~~~~~~~~~~~~~~~~~~~~~~
> compilation terminated.
> I understand it is a simple compile error. Still it would be great to know
> the answer here. Thanks in advance.
> Simon

David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
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