[gmx-users] installing gromacs-4.6.1 with CMake

[中野佑香]

Dear Justin,

Thank you for your fast reply.

cmake was successfully worked after I removed CMakeCache.txt from
gromacs-**4.6.1
directory and
 corrected CMake path in .tcshrc .

Thank you!

-Yuka


2013/4/18 Justin Lemkul <jalemkul at vt.edu>

>
>
> On 4/18/13 3:09 AM, 中野佑香 wrote:
>
>>   Hi. I'm trying to build a build with cmake-2.8.10.2-linux 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
>
> --
> ==============================**==========
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
> ==============================**==========
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中野佑香
立教大学 理学研究科化学専攻
博士前期課程 1年
理論創薬・分子設計 常盤研究室
〒171-8501 東京都豊島区西池袋3-34-1
4号館4230教室
Email: yuka.n at rikkyo.ac.jp <09cc017e at rikkyo.ac.jp>
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