./configure LIBDIRS=" /opt/intel/24.0/ompi/fftw-3.3.10-mpi/lib /opt/intel/oneapi/mkl/2024.0/lib " next use correct make.inc # compiler flag needed by some compilers when the main program is not fortran # Currently used for Yambo FFLAGS_NOMAIN = -nofor_main # Linker, linker-specific flags (if any) # Typically LD coincides with F90 or MPIF90, LD_LIBS is empty # for libxc, set LD_LIBS=-L/path/to/libxc/lib/ -lxcf03 -lxc # If libxc release is 5.0.0 replace -lxcf03 with -lxcf90 LD = mpif90 LDFLAGS = LD_LIBS = # External Libraries (if any) : blas, lapack, fft, MPI # If you have nothing better, use the local copy # BLAS_LIBS = $(TOPDIR)/external/lapack/libblas.a BLAS_LIBS = -L/opt/intel/oneapi/2024.0//lib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core # If you have nothing better, use the local copy # LAPACK = liblapack # LAPACK_LIBS = $(TOPDIR)/external/lapack/liblapack.a LAPACK = LAPACK_LIBS = SCALAPACK_LIBS = # nothing needed here if the the internal copy of FFTW is compiled # (needs -D__FFTW in DFLAGS) FFT_LIBS = # HDF5 HDF5_LIBS = # FOX FOX = FOX_MOD = FOX_LIB = FOX_FLAGS = # ENVIRON ENVIRON_LIBS = # MPI libraries (should not be needed) MPI_LIBS = # IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS MASS_LIBS = # CUDA libraries CUDA_LIBS= -L$(TOPDIR)/external/devxlib/src -ldevXlib CUDA_EXTLIBS = devxlib # ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv AR = ar ARFLAGS = ruv # ranlib command. If ranlib is not needed (it isn't in most cases) use # RANLIB = echo RANLIB = ranlib # all internal and external libraries - do not modify FLIB_TARGETS = all LIBXC_LIBS = QELIBS = $(LIBXC_LIBS) \ $(CUDA_LIBS) $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FOX_LIB) \ $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(HDF5_LIBS) \ $(ENVIRON_LIBS) $(LD_LIBS) # wget or curl - useful to download from network WGET = wget -O # Install directory - "make install" copies *.x executables there PREFIX = /usr/local