IT4Innovations 2022
JK

This patch makes cluster independent changes to the compilation process:
namely, it mostly sets paths to relevant libraries.
Cluster specific changes should be specified in easyconfig through CLUSTERNAME variable.
diff -ru vasp.6.3.1.orig/arch/makefile.include.intel vasp.6.3.1/arch/makefile.include.intel
--- vasp.6.3.1.orig/arch/makefile.include.intel	2022-06-17 17:40:07.266733000 +0200
+++ vasp.6.3.1/arch/makefile.include.intel	2022-06-17 17:40:07.253626000 +0200
@@ -16,13 +16,13 @@
 
 FREE        = -free -names lowercase
 
-FFLAGS      = -assume byterecl -w
+FFLAGS      = -FR -assume byterecl
 
 OFLAG       = -O2
 OFLAG_IN    = $(OFLAG)
 DEBUG       = -O0
 
-OBJECTS     = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o
+OBJECTS     = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o ${EBROOTIMKLMINFFTW}/lib/libfftw3xf_intel.a
 OBJECTS_O1 += fftw3d.o fftmpi.o fftmpiw.o
 OBJECTS_O2 += fft3dlib.o
 
@@ -53,18 +53,18 @@
 
 # Intel MKL (FFTW, BLAS, LAPACK, and scaLAPACK)
 # (Note: for Intel Parallel Studio's MKL use -mkl instead of -qmkl)
-FCL        += -qmkl=sequential
-MKLROOT    ?= /path/to/your/mkl/installation
+#FCL        += -qmkl=sequential
+MKLROOT    ?= ${MKLROOT}
 LLIBS      += -L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64
 INCS        =-I$(MKLROOT)/include/fftw
 
 # HDF5-support (optional but strongly recommended)
-#CPP_OPTIONS+= -DVASP_HDF5
-#HDF5_ROOT  ?= /path/to/your/hdf5/installation
-#LLIBS      += -L$(HDF5_ROOT)/lib -lhdf5_fortran
-#INCS       += -I$(HDF5_ROOT)/include
+CPP_OPTIONS+= -DVASP_HDF5
+HDF5_ROOT  ?= ${EBROOTHDF5}
+LLIBS      += -L$(HDF5_ROOT)/lib -lhdf5_fortran
+INCS       += -I$(HDF5_ROOT)/include
 
 # For the VASP-2-Wannier90 interface (optional)
-#CPP_OPTIONS    += -DVASP2WANNIER90
-#WANNIER90_ROOT ?= /path/to/your/wannier90/installation
-#LLIBS          += -L$(WANNIER90_ROOT)/lib -lwannier
+CPP_OPTIONS    += -DVASP2WANNIER90
+WANNIER90_ROOT ?= ${EBROOTWANNIER90}
+LLIBS          += -L$(WANNIER90_ROOT)/lib -lwannier