| version 1.105 | version 1.106 |
|---|
| |
| echo ' --with-fftw3 (use fftw3 API, your fftw-prefix should match) ' | echo ' --with-fftw3 (use fftw3 API, your fftw-prefix should match) ' |
| echo ' --fftw-prefix <directory containing FFTW lib and include>' | echo ' --fftw-prefix <directory containing FFTW lib and include>' |
| echo ' (defaults to ./fftw or ~/fftw)' | echo ' (defaults to ./fftw or ~/fftw)' |
| | echo ' --with-mkl (use Intel Math Kernel Library via fftw3 API) ' |
| | echo ' --mkl-prefix <directory containing Intel MKL lib and include>' |
| | echo ' (defaults to $MKLROOT)' |
| echo ' --cxx <C++ compiler command>' | echo ' --cxx <C++ compiler command>' |
| echo ' --cxx-opts <C++ compiler options (quote list)>' | echo ' --cxx-opts <C++ compiler options (quote list)>' |
| echo ' --cxx-noalias-opts <C++ compiler options (quote list)>' | echo ' --cxx-noalias-opts <C++ compiler options (quote list)>' |
| |
| set use_python = 0 | set use_python = 0 |
| set use_fftw = 1 | set use_fftw = 1 |
| set use_fftw3 = 0 | set use_fftw3 = 0 |
| | set use_mkl = 0 |
| set use_cuda = 0 | set use_cuda = 0 |
| set use_memopt = 0 | set use_memopt = 0 |
| set use_mic = 0 | set use_mic = 0 |
| |
| endif | endif |
| set FFTW_PREFIX=$1 | set FFTW_PREFIX=$1 |
| breaksw | breaksw |
| | case --with-mkl |
| | set use_mkl = 1 |
| | set use_fftw = 0 |
| | set use_fftw3 = 0 |
| | breaksw |
| | case --mkl-prefix: |
| | shift |
| | if ( ! -d $1 ) then |
| | echo "ERROR: No such directory $1" |
| | goto syntax |
| | endif |
| | set MKL_PREFIX=$1 |
| | breaksw |
| | |
| case --with-cuda: | case --with-cuda: |
| set use_cuda = 1 | set use_cuda = 1 |
| |
| endif | endif |
| endif | endif |
| | |
| | if ( $use_fftw && $use_mkl ) then |
| | echo "ERROR: Do not specify both FFTW and Intel MKL" |
| | goto syntax |
| | endif |
| | |
| if ( $use_cuda || $use_mic ) then | if ( $use_cuda || $use_mic ) then |
| | |
| if ( $?CHARM_ARCH ) then | if ( $?CHARM_ARCH ) then |
| |
| | |
| echo 'include .rootdir/arch/$(NAMD_ARCH).base' >> Make.config | echo 'include .rootdir/arch/$(NAMD_ARCH).base' >> Make.config |
| if ( $use_tcl ) echo 'include .rootdir/arch/$(NAMD_ARCH).tcl' >> Make.config | if ( $use_tcl ) echo 'include .rootdir/arch/$(NAMD_ARCH).tcl' >> Make.config |
| if ( $use_fftw3 ) then | if ( $use_mkl ) then |
| | echo 'include .rootdir/arch/$(NAMD_ARCH).mkl' >> Make.config |
| | else if ( $use_fftw3 ) then |
| echo 'include .rootdir/arch/$(NAMD_ARCH).fftw3' >> Make.config | echo 'include .rootdir/arch/$(NAMD_ARCH).fftw3' >> Make.config |
| else if ( $use_fftw ) echo 'include .rootdir/arch/$(NAMD_ARCH).fftw' >> Make.config | else if ( $use_fftw ) echo 'include .rootdir/arch/$(NAMD_ARCH).fftw' >> Make.config |
| endif | endif |
| |
| echo "PYTHONLIB = -l$python_lib" >> Make.config | echo "PYTHONLIB = -l$python_lib" >> Make.config |
| endif | endif |
| | |
| if ( $use_fftw ) then | if ( $use_mkl ) then |
| | if ( $?MKL_PREFIX ) then |
| | echo "FFTDIR = $MKL_PREFIX" >> Make.config |
| | endif |
| | else if ( $use_fftw ) then |
| if ( $?FFTW_PREFIX ) then | if ( $?FFTW_PREFIX ) then |
| echo "FFTDIR = $FFTW_PREFIX" >> Make.config | echo "FFTDIR = $FFTW_PREFIX" >> Make.config |
| else if ( -d .rootdir/fftw/lib && -d .rootdir/fftw/include ) then | else if ( -d .rootdir/fftw/lib && -d .rootdir/fftw/include ) then |