Commit 84c77200 authored by Daniel Wortmann's avatar Daniel Wortmann

Bugfixes/beautification of configure scripts

parent 85cc11fa
......@@ -62,34 +62,58 @@ if [ $help -gt 0 ]
then
echo "USAGE: configure.sh [options] [MACHINE] [label]"
echo "
The following command line options are supported:
-h : print this help-page
-m # : specify the machine to build on (see below for possible options)
This can also be specified without -m as a first argument
-l # : label for the build. It will be attached to the name of the build directory.
This option can also be specified as second argument without -l
-d : build a debugging version of FLEUR (adds .debug to label)
-g : do a git pull first if this is a git version
-t : generate all tests including those that run longer
-b : backup an old build directory if present
To help the script finding a proper configuration you should
provide the name of a specific machine to compile on.
Currently known machine configurations are:
The following command line options are supported.
General options:
-h : print this help-page
-m # : specify the machine to build on (see below for possible options)
This can also be specified without -m as a first argument
-l # : label for the build. It will be attached to the name of
the build directory.
This option can also be specified as second argument without -l
-d : build a debugging version of FLEUR (adds .debug to label)
-g : do a git pull first if this is a git version
-t : generate all tests including those that run longer
-b : backup an old build directory if present
-make : do not stop after configure script but run make directly
-cmake # : cmake executable to use
-cmake_opts # : additional options for cmake can be specified here directly
Command line options to switch on/off features. These options overwrite the results of
the test and might lead to the configuration to fail.
-hdf5 [TRUE|FALSE] : use HDF5 library
-wannier [TRUE|FALSE] : use Wannier90 library
-mpi [TRUE|FALSE] : compile the MPI parallel version
Command line option to compile external libraries:
-external # : download and compile external libraries before building FLEUR
currently 'hdf5' and 'libxc' are possible options. The switch
can be specified multiple times
Options to specify Fortran/Linker flags:
-link # : String to use for linking (options separated by ;, e.g. '-lxml2;-lhdf5')
-libdir # : Directory to find libraries in (can be specified multiple times)
-flags # : String to add while compiling (e.g. '-g')
-includedir # : Directory to find include files (can be specified multiple times)
Special options:
-elpa_openmp : USE the OpenMP version of elpa, e.g. use '-lelpa_openmp'
To help the script finding a proper configuration you should provide the name of
a specific machine to compile on.
Currently known machine configurations are:
"
echo " $known_machines"
echo "
If you do not specify the machine the AUTO option will be used in which some
defaults are tested. It might work if your machine is not one of those known.
If you do not specify the machine the AUTO option will be used in which some
defaults are tested. It might work if your machine is not one of those known.
You might also want to add your configuration to the file
cmake/machines.sh in this case :-)
You might also want to add your configuration to the directory
cmake/machines in this case :-)
In addition you can modify some environment variables:
FC -- name of Fortran compiler
CC -- name of C compiler
FLEUR_LIBRARIES -- list of linker arguments i.e. '-L/lib;-lbla'
CMAKE_Fortran_FLAGS -- list of compiler options i.e. '-r8'"
CC -- name of C compiler"
echo "
By specifying a label you can have different build directories.
The label will be added to the 'build' directory name."
......
......@@ -39,7 +39,7 @@ echo "set(FLEUR_LIBRARIES $cmake_lib)" >>config.cmake
#2. If CLI_FLAGS is given use that
#3. If FLEUR_INCLUDEDIR/CLI_INCLUDEDIR is given, add -I options for these
if [ "$CMAKE_Fortan_FLAGS" ]
if [ "$CMAKE_Fortran_FLAGS" ]
then
cmake_flags="$CMAKE_Fortran_FLAGS"
fi
......
......@@ -13,6 +13,17 @@ if (NOT FLEUR_USE_HDF5)
endif()
endif()
#now try to find the library by adding the -l stuff to the FLEUR_LIBRARIES
if (NOT FLEUR_USE_HDF5)
set(TEST_LIBRARIES "${FLEUR_LIBRARIES};-lhdf5_fortran;-lhdf5_f90cstub;-lhdf5")
try_compile(FLEUR_USE_HDF5 ${CMAKE_BINARY_DIR} ${CMAKE_SOURCE_DIR}/cmake/tests/test_HDF5.f90
LINK_LIBRARIES ${TEST_LIBRARIES}
)
if (FLEUR_USE_HDF5)
set(FLEUR_LIBRARIES ${TEST_LIBRARIES})
endif()
endif()
#now try the find_package feature
if (NOT FLEUR_USE_HDF5)
find_package(HDF5)
......
......@@ -66,12 +66,24 @@ then
then
echo "OLD build directory found, saved in build.$$"
mv $buildname $buildname.$$
mkdir $buildname
else
echo "Overwriting old build"
rm -r $buildname
cd $buildname
for file in *
do
if [ "$file" == "external" ]
then
echo "Keeping 'external' directory"
else
rm -r $file
fi
done
cd ..
fi
else
mkdir $buildname
fi
mkdir $buildname
cd $buildname
#Now check the machine and set some defaults
......
libxc_version=4.2.1
#Get the file with the code
curl -LO "http://www.tddft.org/programs/octopus/download/libxc/${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
if [ ! -d libxc-${libxc_version} ]
then
#Get the file with the code
curl -LO "http://www.tddft.org/programs/octopus/download/libxc/${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
else
cd libxc-${libxc_version}
fi
#Store the installation location
FLEUR_LIBDIR="$PWD/INSTALL_DIR/lib $FLEUR_LIBDIR"
FLEUR_INCLUDEDIR="$PWD/INSTALL_DIR/include"
FLEUR_INCLUDEDIR="$PWD/INSTALL_DIR/include $FLEUR_INCLUDEDIR"
if [ $FLEUR_LIBRARIES ]
then
FLEUR_LIBRARIES="$FLEUR_LIBRARIES;-lxcf03;-lxc"
......
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