Commit 5289694a authored by S.Rost's avatar S.Rost

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

parents f372a0af f7ac2622
......@@ -3,4 +3,10 @@ export FC=${FC:=mpiifort}
export CC=${CC:=mpiicc}
export CXX=${CXX:=mpiicpc}
#Set environment variables usefull for external dependencies, e.g. ELPA
export CFLAGS=-mkl
export CMAKE_Fortran_FLAGS="$CMAKE_Fortran_FLAGS -mkl"
export FCFLAGS=-mkl
export LIBS="-mkl -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64"
export SCALAPACK_LDFLAGS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64"
......@@ -3,12 +3,7 @@
cd src
if [ ! -r ChASE ]
then
if [ -r ChASE.tgz ]
then
tar zxf ChASE.tgz
else
#git clone https://github.com/SimLabQuantumMaterials/ChASE.git
fi
git clone https://github.com/SimLabQuantumMaterials/ChASE.git
fi
cd ..
......
elpa_version=2017.11.001
#elpa_version=2017.11.001
elpa_version=2018.05.001.rc1
if [ ! -r elpa-${elpa_version} ]
then
#Get the file with the code
......@@ -6,7 +7,7 @@ then
tar xzf elpa-${elpa_version}.tar.gz
cd elpa-${elpa_version}
#configure
./configure --disable-doxygen-doc --enable-shared=no --disable-mpi-module --enable-openmp --prefix=$PWD/INSTALL_DIR
./configure --enable-c-tests=no --disable-doxygen-doc --enable-shared=no --disable-mpi-module --disable-legacy --enable-openmp --prefix=$PWD/INSTALL_DIR
#Compile&test (This will take a while)
make
#Do make install
......@@ -14,5 +15,17 @@ then
cd ..
fi
#Store the installation location
if [[ -r $PWD/INSTALL_DIR/lib/libelpa.a ]] || [[ -r $PWD/INSTALL_DIR/lib/libelpa_openmp.a ]]
then
echo "libelpa.a found"
else
#Try to copy files manually if make install failed
mkdir $PWD/INSTALL_DIR
mkdir $PWD/INSTALL_DIR/lib/
cp elpa-${elpa_version}/.libs/* $PWD/INSTALL_DIR/lib/
mkdir $PWD/INSTALL_DIR/include
cp elpa-${elpa_version}/modules/* elpa-${elpa_version}/private_modules/* $PWD/INSTALL_DIR/include
fi
FLEUR_LIBDIR="$PWD/INSTALL_DIR/lib $FLEUR_LIBDIR"
FLEUR_INCLUDEDIR="$PWD/INSTALL_DIR/include $FLEUR_INCLUDEDIR"
......@@ -2,9 +2,9 @@ enable_testing()
set(SerialParallelTests CuBulk CuBulkXML SiLOXML Fe_1l Fe_1lXML Fe-Atom CuBand CuBandXML CuDOS CuDOSXML
Fe_bct Fe_bctXML PTO PTOXML Fe_1l_SOC Fe_1l_SOCXML PTO-SOC PTO-SOCXML Fe_bct_SOC Fe_bct_SOCXML Fe_fccXML
GaAsMultiUForceXML SiFilmPlotXML SiFilmSlicePlotXML CoMCDXML Fe_Kerker)
GaAsMultiUForceXML SiFilmPlotXML SiFilmSlicePlotXML CoMCDXML Fe_Kerker Fe_bct_LOXML)
set(SerialOnlyTests Fe_bct_LO Fe_bct_LOXML Fe_fcc TiO2eels TiO2eelsXML)
set(SerialOnlyTests Fe_bct_LO Fe_fcc)# TiO2eels TiO2eelsXML)
set(InpgenTests Si_plain Si_plain_explicit Si_full_para)# Si_kpt Si_kden Si_round_trip)
set(Testdirs ${SerialParallelTests} ${SerialOnlyTests})
......
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