Commit 9fa2afad authored by Daniel Wortmann's avatar Daniel Wortmann

Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop

parents c56d35a9 615fb8a9
......@@ -56,3 +56,7 @@ endif()
if (NOT (FLEUR_USE_SERIAL OR FLEUR_USE_MPI))
message(FATAL_ERROR "You should either compile a parallel or serial version (or both)")
endif()
if (FLEUR_WARN_MESSAGE)
message("${BRed}${FLEUR_WARN_MESSAGE}${CReset}")
endif()
#cmake file to set compiler flags for some of the known compilers
if (${CMAKE_Fortran_COMPILER_ID} MATCHES "Intel")
message("Intel Fortran detected")
if (${CMAKE_Fortran_COMPILER_VERSION} VERSION_LESS "14.1.0.0")
if (${CMAKE_Fortran_COMPILER_VERSION} VERSION_LESS "13.0.0.0")
set(FLEUR_WARN_MESSAGE "You are using an old version of the Intel Fortran Compiler. Most likely FLEUR will not be build sucessfully. Consider to upgrade your compiler.")
set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -mkl -r8 -openmp -assume byterecl")
elseif (${CMAKE_Fortran_COMPILER_VERSION} VERSION_LESS "14.1.0.0")
set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -mkl -r8 -openmp -assume byterecl")
else()
set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -mkl -r8 -qopenmp -assume byterecl")
......
libxc_version=4.2.1
#Get the file with the code
curl -LO "http://www.tddft.org/programs/octopus/download/libxc/${libxc_version}/libxc-${libxc_version}.tar.gz"
tar xzf libxc-${libxc_version}.tar.gz
cd libxc-${libxc_version}
#Compile&test (This will take a while)
./configure --prefix=$PWD/INSTALL_DIR
make
make install
#Store the installation location
FLEUR_LIBDIR="$PWD/INSTALL_DIR/lib $FLEUR_LIBDIR"
FLEUR_INCLUDEDIR="$PWD/INSTALL_DIR/include"
if [ $FLEUR_LIBRARIES ]
then
FLEUR_LIBRARIES="$FLEUR_LIBRARIES;-lxcf03;-lxc"
else
FLEUR_LIBRARIES="-lxcf03;-lxc"
fi
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