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

Justin Lemkul jalemkul at vt.edu
Tue Jul 22 21:35:24 CEST 2014



On 7/22/14, 1:19 PM, leila salimi wrote:
> What does this sentence mean?  " Run CMake with the path to the source as
> an argument"
>

This:

   $ mkdir build
   $ cd build
   $ cmake ..

You move into a subdirectory to do the compilation, invoking cmake with its 
argument ".." indicating that the full source code is one level up.

-Justin

>
> On Tue, Jul 22, 2014 at 7:00 PM, leila salimi <leilasalimi at gmail.com> wrote:
>
>>
>>
>>
>> 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
>>>
>>> ==================================================
>>> --
>>> Gromacs Users mailing list
>>>
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>>>
>>
>>

-- 
==================================================

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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