Re: [gmx-users] configure gromacs 4.6

2013-02-07 Thread Justin Lemkul
On 2/7/13 12:39 PM, jeela keel wrote: Hi All, Thank you for the help. But I am not sure how to use cmake?? Do I need to make a new directory something like the following, or just in the gromacs directory? mkdir cmake cd cmake cmake -DCMAKE_PREFIX_PATH=/home/jeela/local/gromacs-4.6 --progra

Re: [gmx-users] configure gromacs 4.6

2013-02-07 Thread jeela keel
Hi All, Thank you for the help. But I am not sure how to use cmake?? Do I need to make a new directory something like the following, or just in the gromacs directory? mkdir cmake cd cmake cmake -DCMAKE_PREFIX_PATH=/home/jeela/local/gromacs-4.6 --program-suffix=-4.6 --with-fft=fftw3 Thank you

Re: [gmx-users] configure gromacs 4.6

2013-02-06 Thread Roland Schulz
On Wed, Feb 6, 2013 at 6:05 PM, jeela keel wrote: > cmake .. -DGMX_BUILD_OWN_FFTW=ON > Because you already build fftw yourself you don't need GMX_BUILD_OWN_FFTW. The option means that gromacs builds fftw for you. Instead simply specify where you installed fftw with CMAKE_PREFIX_PATH Roland --