Bugfixes in configure scripts

CMakeLists.txt

@@ -4,7 +4,9 @@ if (EXISTS "${CMAKE_BINARY_DIR}/config.cmake")
    include("${CMAKE_BINARY_DIR}/config.cmake")
 endif()
 
+set(tmp ${CMAKE_Fortran_FLAGS})
 project(FLEUR LANGUAGES C Fortran)
+set(CMAKE_Fortran_FLAGS ${CMAKE_Fortran_FLAGS} ${tmp})
 
 include("cmake/CompilerConfig.txt")
 

cmake/machines/IFF.sh

-FC=${FC:=mpiifort}
+export FC=${FC:=mpiifort}
 FLEUR_LIBRARIES="-lxml2;-lmkl_scalapack_lp64;-lmkl_blacs_intelmpi_lp64;-mt_mpi;${FLEUR_LIBRARIES}"

cmake/machines/JURECA.sh

 if module list 2>&1 |grep -q -i intel
 then
     echo "Intel toolchain used"
-    FC=mpif90
-    CC=mpicc
+    export FC=${FC:=mpif90}
+    export CC=${CC:=mpicc}
+    #determine XML2 module
+    xml2=`module --show_hidden spider libxml2 2>&1 |grep libxml2/|grep -v module |tail -1`
+    module load $xml2
+    
+    #determine ELPA module
+    elpa=`module spider ELPA 2>&1 |grep hybrid`
+    module load $elpa
+    CLI_ELPA_OPENMP=1
+    FLEUR_LIBDIR="$FLEUR_LIB $ELPA_LIB"
+    FLEUR_INCLUDEDIR="$FLEUR_INCLUDEDIR $ELPA_MODULES_OPENMP"
+    #load hdf5 module
+    module load HDF5
+    
     FLEUR_LIBRARIES="-lmkl_scalapack_lp64;-lmkl_blacs_intelmpi_lp64"
     
 elif module list 2>&1 |grep -q PGI
@@ -12,5 +25,8 @@ then
     CC=mpicc
     FLEUR_INCLUDEDIR="$XML2_ROOT/include"
     FLEUR_LIBRARIES="-lstdc++;-L$MKLROOT/lib/intel64;-lmkl_scalapack_lp64;-lmkl_intel_lp64;-lmkl_pgi_thread;-lmkl_core;-lmkl_blacs_intelmpi_lp64"
-    
+else
+    echo "You need to load the modules for the compiler"
+    echo "e.g. module load intel-para"
+    exit
 fi

cmake/process_arguments.sh

@@ -21,7 +21,7 @@ do
 	-mpi) shift; CLI_FLEUR_USE_MPI=$1;;
 	-magma) shift; CLI_FLEUR_USE_MAGMA=$1;;
 	-gpu) shift; CLI_FLEUR_USE_GPU=$1;;
-	-libraries) shift; CLI_LIBRARIES=$1;;
+	-link) shift; CLI_LIBRARIES=$1;;
 	-libdir) shift; CLI_LIBDIR="$CLI_LIBDIR $1";;
 	-flags) shift; CLI_FLAGS=$1;;
 	-includedir) shift; CLI_INCLUDEDIR="$CLI_INCLUDEDIR $1";;