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

[leila salimi]

Thanks, I tried with 4.6.6 , the same as I did before for 4.6.3 and It
works now (4.6.6) !




On Tue, Jul 22, 2014 at 9:33 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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
>>>>
>>>> ==================================================
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>>>>
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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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> Gromacs Users mailing list
>
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