Updated gitlab build configuration to create an MPI version

.gitlab-ci.yml

@@ -5,8 +5,8 @@ build-gfortran:
      paths:
        - build
   script:
-    - apt-get update -qq && apt-get install -y -qq build-essential gfortran gfortran-6 g++-6 gcc-6 binutils-gold git cmake libxml2-dev liblapack-dev libblas-dev doxygen
-    - cd /builds/fleur/fleur; ./configure.sh AUTO; cd build; make 
+    - apt-get update -qq && apt-get install -y -qq build-essential gfortran gfortran-6 g++-6 gcc-6 binutils-gold git cmake libxml2-dev liblapack-dev libblas-dev doxygen libopenmpi-dev libscalapack-mpi-dev
+    - cd /builds/fleur/fleur; ./configure.sh GITLAB; cd build; make 
 test-gfortran:
   image: ubuntu:16.10
   stage: test
@@ -14,7 +14,7 @@ test-gfortran:
      paths:
        - build
   script:
-    - apt-get update -qq && apt-get install -y -qq build-essential gfortran gfortran-6 g++-6 gcc-6 binutils-gold git cmake libxml2-dev liblapack-dev libblas-dev doxygen
+    - apt-get update -qq && apt-get install -y -qq build-essential gfortran gfortran-6 g++-6 gcc-6 binutils-gold git cmake libxml2-dev liblapack-dev libblas-dev libopenmpi-dev libscalapack-mpi-dev
     - ulimit -s unlimited ;cd /builds/fleur/fleur/build;ctest
 
 

cmake/machines.sh

@@ -100,8 +100,13 @@ module load LIBRARIES
 	   echo "GOOD LUCK!"
         fi
     else
-	echo "No valid machine configuration specified"
-	exit
+	if [ -r $DIR/cmake/machines/${machine}.cmake ]
+	then
+	    cp $DIR/cmake/machines/${machine}.cmake config.cmake
+	else
+	    echo "No valid machine configuration specified"
+	    exit
+	fi
     fi
 }
 

cmake/machines/GITLAB.cmake

+#Set the compiler names
+set(CMAKE_Fortran_COMPILER mpif90)
+#set(CMAKE_C_COMPILER mpiicc)
+#Add include pathes
+#set(FLEUR_Fortran_FLAGS "")
+#Add linker stuff
+set(FLEUR_LIBRARIES ${FLEUR_LIBRARIES} "/usr/lib/x86_64-linux-gnu/libxml2.so;/usr/lib/x86_64-linux-gnu/libscalapack-openmpi.so;/usr/lib/x86_64-linux-gnu/libblacsF77init-openmpi.so;/usr/lib/x86_64-linux-gnu/libblacs-openmpi.so;/usr/lib/liblapack.so;/usr/lib/libblas.so")