cleaned up setup.sh

ferroteam · Jun 23, 2018 · 5513c8d · 5513c8d
1 parent 5aaeaf9
commit 5513c8d
Showing 1 changed file with 24 additions and 10 deletions.
diff --git a/setup.sh b/setup.sh
@@ -2,14 +2,28 @@
 set -e
 set -o pipefail
 #script to setup and build DFT-FE
-#Provide paths for external libraries and optimization flag (0 for Debug, 1 for Release)
+
+########################################################################
+#Provide paths below for external libraries, compiler options and flags,
+# and optimization flag
+
+#Paths for external libraries
 dealiiPetscRealDir="/home/vikramg/DFT-FE-softwares/softwareCentos/dealiiDev/intel_18.0.1_petscReal_avx_64bit_mklthread_scalapack"
 dealiiPetscComplexDir="/home/vikramg/DFT-FE-softwares/softwareCentos/dealiiDev/intel_18.0.1_petscComplex_avx_64bit_mklthread_scalapack"
 alglibDir="/nfs/mcfs_comp/home/rudraa/software/alglib/cpp/src"
 libxcDir="/home/vikramg/DFT-FE-softwares/softwareCentos/libxcNew/install_intel18"
 spglibDir="/home/vikramg/DFT-FE-softwares/softwareCentos/spglib"
+
+#Compiler options and flags
+c_compiler=mpicc
+cxx_compiler=mpicxx
+c_flagsRelease=-O2
+cxx_flagsRelease=-O2
+
+#Optmization flag: 1 for optimized mode and 0 for debug mode compilation
 optimizedMode=1
-#
+
+###########################################################################
 #Usually, no changes are needed below this line
 #
 RCol='\e[0m'
@@ -21,18 +35,18 @@ if [ $optimizedMode == 1 ]; then
  cd build
  cd release
  echo -e "${Blu}Building Real executable in Optimized (Release) mode...${RCol}"
- mkdir -p real && cd real && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_CXX_FLAGS_RELEASE="-O3" -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ..
+ mkdir -p real && cd real && cmake -DCMAKE_C_COMPILER=$c_compiler -DCMAKE_CXX_COMPILER=$cxx_compiler -DCMAKE_CXX_FLAGS_RELEASE=$cxx_flagsRelease -DCMAKE_C_FLAGS_RELEASE=$c_flagsRelease -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ..
  echo -e "${Blu}Building Complex executable in Optimized (Release) mode...${RCol}"
- mkdir -p complex && cd complex && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_CXX_FLAGS_RELEASE="-O3" -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ../..
+ mkdir -p complex && cd complex && cmake -DCMAKE_C_COMPILER=$c_compiler -DCMAKE_CXX_COMPILER=$cxx_compiler -DCMAKE_CXX_FLAGS_RELEASE=$cxx_flagsRelease -DCMAKE_C_FLAGS_RELEASE=$c_flagsRelease -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ../..
  else
  rm -rf build/release
  echo -e "${Blu}Creating build directory...${RCol}"
  mkdir -p build && cd build
  mkdir -p release && cd release
  echo -e "${Blu}Building Real executable in Optimized (Release) mode...${RCol}"
- mkdir -p real && cd real && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_CXX_FLAGS_RELEASE="-O3" -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ..
+ mkdir -p real && cd real && cmake -DCMAKE_C_COMPILER=$c_compiler -DCMAKE_CXX_COMPILER=$cxx_compiler -DCMAKE_CXX_FLAGS_RELEASE=$cxx_flagsRelease -DCMAKE_C_FLAGS_RELEASE=$c_flagsRelease -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ..
  echo -e "${Blu}Building Complex executable in Optimized (Release) mode...${RCol}"
- mkdir -p complex && cd complex && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_CXX_FLAGS_RELEASE="-O3" -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ../..
+ mkdir -p complex && cd complex && cmake -DCMAKE_C_COMPILER=$c_compiler -DCMAKE_CXX_COMPILER=$cxx_compiler -DCMAKE_CXX_FLAGS_RELEASE=$cxx_flagsRelease -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ../..
  fi
 else
  if [ -d "build/debug" ]; then
@@ -41,18 +55,18 @@ else
  cd build
  cd debug
  echo -e "${Blu}Building Real executable in Debug mode...${RCol}"
- mkdir -p real && cd real && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ..
+ mkdir -p real && cd real && cmake -DCMAKE_C_COMPILER=$c_compiler -DCMAKE_CXX_COMPILER=$cxx_compiler -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ..
  echo -e "${Blu}Building Complex executable in Debug mode...${RCol}"
- mkdir -p complex && cd complex && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ../..
+ mkdir -p complex && cd complex && cmake -DCMAKE_C_COMPILER=$c_compiler -DCMAKE_CXX_COMPILER=$cxx_compiler -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ../..
  else
  rm -rf build/debug
  echo -e "${Blu}Creating build directory...${RCol}"
  mkdir -p build && cd build
  mkdir -p debug && cd debug
  echo -e "${Blu}Building Real executable in Debug mode...${RCol}"
- mkdir -p real && cd real && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ..
+ mkdir -p real && cd real && cmake -DCMAKE_C_COMPILER=$c_compiler -DCMAKE_CXX_COMPILER=$cxx_compiler -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ..
  echo -e "${Blu}Building Complex executable in Debug mode...${RCol}"
- mkdir -p complex && cd complex && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ../..
+ mkdir -p complex && cd complex && cmake -DCMAKE_C_COMPILER=$c_compiler -DCMAKE_CXX_COMPILER=$cxx_compiler -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ../..
  fi
 fi
 echo -e "${Blu}Build complete.${RCol}"