Chemistry, Computational Chemistry, Molecular Dynamics, Gromacs, Programming.
-DBUILD_SHARED_LIBS=off -DFFTWF_INCLUDE_DIR="G:/Installer/gromacs-2021.1/fftw/fftw-3.3.5-dll64" -DFFTWF_LIBRARY="G:/Installer/gromacs-2021.1/fftw/fftw-3.3.5-dll64/libfftw3f-3.lib" Here, the -DFFTWF_INCLUDE_DIR should point to the directory where the inlcude file fftw3.h is present. The