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

[Justin Lemkul]

On 11/21/18 3:56 PM, Kit Sang Chu wrote:
> Somehow the problem persists. Here I try -l
> /home/simon/Softs/gromacs5-1/opt/include again.

You need -I, not -l (capital "i" is for "Include")

-Justin

> g++ -l /home/simon/Softs/gromacs-5.1/opt/include GlyRot.cpp -o GlyRot.o
> -Wall -c
> GlyRot.cpp:8:10: fatal error: gromacs/commandline.h: No such file or
> directory
>   #include "gromacs/commandline.h"
>            ^~~~~~~~~~~~~~~~~~~~~~~
> compilation terminated.
>
>
> Regards,
> Simon
>
>
> On Wed, Nov 21, 2018 at 12:18 PM Alexander Tzanov <
> Alexander.Tzanov at csi.cuny.edu> wrote:
>
>> 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.
>> http://www.icm.uu.se
>> --
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-- 
==================================================

Justin A. Lemkul, Ph.D.
Assistant Professor
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