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fleur
fleur
Commits
9fa2afad
Commit
9fa2afad
authored
Jun 18, 2018
by
Daniel Wortmann
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Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop
parents
c56d35a9
615fb8a9
Changes
3
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3 changed files
with
27 additions
and
1 deletion
+27
-1
cmake/ReportConfig.txt
cmake/ReportConfig.txt
+4
-0
cmake/compilerflags.cmake
cmake/compilerflags.cmake
+4
-1
external/libxc/install_libxc.sh
external/libxc/install_libxc.sh
+19
-0
No files found.
cmake/ReportConfig.txt
View file @
9fa2afad
...
...
@@ -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/compilerflags.cmake
View file @
9fa2afad
#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"
)
...
...
external/libxc/install_libxc.sh
0 → 100644
View file @
9fa2afad
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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