[gmx-users] missing prepare-qmmm.py

[Benson Muite]

Hi,

Was -DCMAKE_PREFIX_PATH set to the location at which CommLib library was 
installed?

Not sure if

-DCMAKE_INSTALL_PREFIX:PATH=/home/derk/Prog/gmx19

is a typo and should be

-DCMAKE_INSTALL_PREFIX_PATH=/home/derk/Prog/gmx19

prepare-qmmm.py

does not seem to be in the sources at 
https://gitlab.com/MiMiC-projects/CommLib and 
https://github.com/gromacs/gromacs, though maybe automatically generated.

Benson

On 7/1/19 3:52 PM, Dhr. D.W. Sjoerdsma (d.w.sjoerdsma) wrote:
> Hello,
>
> After compiling GROMACS with the MiMiC option, I was not able to locate the
> prepare-qmmm.py file. I do not know whether this is a result of a faulty
> installation or if it is something else
>
> I used the following flags:
>
> -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_DOUBLE=ON -DGMX_
> MIMIC =ON -DCMAKE_INSTALL_PREFIX:PATH=/home/derk/Prog/gmx19 -DGMX_MPI=ON
> -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx
>
> Sincerely,
> Derk Sjoerdsma
>