[gmx-users] installing gromacs-4.6.1 with CMake

Justin Lemkul jalemkul at vt.edu
Thu Apr 18 12:40:03 CEST 2013

On 4/18/13 3:09 AM, 中野佑香 wrote:
>   Hi. I'm trying to build a build with cmake- for
> 'gromacs-4.6.1' as the build target.
> First,
> I extracted gromacs-4.6.1.tar.gz  and, create a new folder; build inside
> the extracted folder.
> Then, inside build folder, I configured using CMake.
> $ tar -xvzf gromacs-4.6.1.tar.gz
> $ cd gromacs-4.6.1
> $ mkdir build
> $ cd build
> $ cmake ..
> However, I got an error.
> --------------------------------------------------------------------------------------------------------------
> CMake Error: The source directory "/home/okayuka/Gromacs" does not appear
> to contain CMakeLists.txt.
> Specify --help for usage, or press the help button on the CMake GUI.
> -----------------------------------------------------------------------------------------------------------------
> Inside gromacs-4.6.1 directory, there is certainly CMakeLists.txt.
> For this, I think cmake mistaking  /home/okayuka/Gromacs for
> /home/okayuka/Gromacs/gromacs-4.6.1 as ' the source directory'.
> Would you please tell me how correct this mismatch of the source directory?

The sequence of commands you have entered above is correct, but that's 
apparently not what's actually happening in your terminal.  The error indicates 
you are trying to use CMake to build within /home/okayuka/Gromacs, not 
/home/okayuka/Gromacs/gromacs-4.6.1.  That would happen if perhaps you had 
forgotten to cd into gromacs-4.6.1.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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