[gmx-users] does not appear to contain CMakeLists.txt Error to compile GROMACS 4.6.3

[leila salimi]

On Tue, Jul 22, 2014 at 6:46 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 7/22/14, 12:25 PM, leila salimi wrote:
>
>> Dear GROMACS Users,
>>
>> I tried to compile GROMACS on my computer, I did a quick installation as I
>> saw in the link
>>   tar -xvzf gromacs-4.6.1.tar.gz
>>   $ cd gromacs-4.6.1
>>   $ mkdir build
>>   $ cd build
>>
>> ( I did not have cmake and I got it form " sudo apt-get install cmake " in
>> build folder, then I tried the next line)
>>
>>   $ cmake .. -DGMX_BUILD_OWN_FFTW=ON
>>   $ cmake ..
>>
>>
> What did these two commands produce?  Did you invoke them one after
> another, or did you clean the build directory between them (as you should
> have done)?
> I  did it one after another, I didn't know that I have to clean the bulid
> directory! What do you mean by clean ? Should I remove the files in the
> directory or something elase???
>
>  I tried to   sudo make install and I got the error
>>
>>
>> CMake Error: The source directory
>> "/fs01/ma05/homes/salimi/Programs/gromacs-4.6.3" does not appear to
>> contain
>> CMakeLists.txt.
>> Specify --help for usage, or press the help button on the CMake GUI.
>> make: *** [cmake_check_build_system] Error 1
>>
>>
> This error shouldn't be triggered by "sudo make install," but would show
> up when invoking cmake.

    cmake worked well and I got it when I tried sudo make install

>
>
>
>> Althogh I have the CMakeLists.txt in the source path
>> "/fs01/ma05/homes/salimi/Programs/gromacs-4.6.3"
>> Do you know what it is wrong with this installation?
>>
>>
> Sounds a bit hard to believe, but in any case, install the latest version
> (4.6.6 in the 4.6.x series, or 5.0 otherwise) and try again.
> Can I remove the directory and install it again, or I have to uninstall
> something? I prefer to install this version first, If I won't make it, I am
> going for the latest version.


Thanks very much Justin for your fast reply :)


> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 601
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
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