با سلام خدمت دوستان عزیز من برای نصب برنامه gromacs به مشکل برخورد کردم چون ناز به نصب برنامه regressiontests-5.0 دارد .از دوستان اگه کسی میدونه چزور میتونم اینو نصب کنم مماون میشم کمک کنه. cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
اینم کل کراحل نصب هستش:
1.Get the latest version of your C and C++ compilers.
2.Check that you have CMake version 2.8.8 or later.
3.Get and unpack the latest version of the GROMACS tarball.
4.Make a separate build directory and change to it.
5.Run cmake with the path to the source as an argument
6.Run make, make check, and make install
Or, as a sequence of commands to execute:
tar xfz gromacs-5.0.1.tar.gz
cd gromacs-5.0.1
mkdir build
cd build
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
make
make check
sudo make install
source /usr/local/gromacs/bin/GMXRC
This will download and build first the prerequisite FFT library followed by GROMACS. If you already have FFTW installed, you can remove that argument to cmake. Overall, this build of GROMACS will be correct and reasonably fast on the machine upon which cmake ran. If you want to get the maximum value for your hardware with GROMACS, you will have to read further. Sadly, the interactions of hardware, libraries, and compilers are only going to continue to get more complex