cp2k: set default DATA_DIR to /data

MPI/cp2k/files/Merlin-intel.popt

@@ -14,6 +14,8 @@ LIBXC_LIB   = ${LIBXC_LIBRARY_DIR}
 LIBXSMM_INC = ${LIBXSMM_INCLUDE_DIR}
 LIBXSMM_LIB = ${LIBXSMM_LIBRARY_DIR}
 
+DATA_DIR    = ${PREFIX}/data
+
 CPP         =
 CC          = mpiicc
 FC          = mpiifort
@@ -21,7 +23,7 @@ LD          = mpiifort
 AR          = ar -r
 DFLAGS      = -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM \
               -D__MKL -D__MPI_VERSION=3 -D__MAX_CONTR=4 \
-              -D__parallel -D__SCALAPACK -D__CHECK_DIAG
+              -D__parallel -D__SCALAPACK
 CFLAGS      = $(DFLAGS) -O2 -xHost -I${LIBXC_INC}
 FCFLAGS     = $(CFLAGS)
 FCFLAGS    += -fpp -fp-model precise -free -funroll-loops