Added CMakeListsCAEN for compiling on CAEN machine

helpers/CMakeListsCAEN.txt

@@ -0,0 +1,120 @@
+##
+# CMake script for DFT-FE 
+##
+
+##Note: Set ALGLIB, LIBXC, PETSC and SLEPC paths below. 
+
+##set ALGLIB paths
+SET(ALGLIB_INCLUDE "/home/phanim/softwares/alglib/cpp/src/") #path to interpolation.h
+SET(ALGLIB_LIB "/home/phanim/softwares/alglib/cpp/src/libAlglib.so") #path to libAlglib.so
+##Note: On some platforms, you may have to set DYLD_LIBRARY_PATH(OSX)/LD_LIBRARY_PATH to include path ALGLIB_LIB. For example:
+##export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/path/to/Algib/.so/file
+
+##set LIBXC paths
+SET(LIBXC_INCLUDE "/home/phanim/softwares/libxc/install_caen_libxc/include") #path to xc.h
+SET(LIBXC_LIB "/home/phanim/softwares/libxc/install_caen_libxc/lib/libxc.a") #path to libxc.a
+
+##set PETSc Real paths
+SET(PETSC_REAL_INCLUDE "/home/phanim/softwares/PETSc/install_caen_double1/include")
+SET(PETSC_REAL_LIB "/home/phanim/softwares/PETSc/install_caen_double1/lib/libpetsc.so")
+
+##set SLEPc Real paths
+SET(SLEPC_REAL_INCLUDE "/home/phanim/softwares/SLEPc/install_caen_double1/include")
+SET(SLEPC_REAL_LIB "/home/phanim/softwares/SLEPc/install_caen_double1/lib/libslepc.so") 
+
+##set PETSc Complex paths
+SET(PETSC_COMPLEX_INCLUDE "/home/phanim/softwares/PETSc/install_caen_complex1/include")
+SET(PETSC_COMPLEX_LIB "/home/phanim/softwares/PETSc/install_caen_complex1/lib/libpetsc.so")
+
+##set SLEPc Complex paths
+SET(SLEPC_COMPLEX_INCLUDE "/home/phanim/softwares/SLEPc/install_caen_complex1/include")
+SET(SLEPC_COMPLEX_LIB "/home/phanim/softwares/SLEPc/install_caen_complex1/lib/libslepc.so") 
+
+SET(SPG_INCLUDE "/home/phanim/softwares/spglib/spglib-1.9.8/include")
+SET(SPG_LIB "/home/phanim/softwares/spglib/spglib-1.9.8/lib/libsymspg.so")
+
+SET(DEAL_II_DIR "/home/phanim/softwares/dealii/install_caen_dealii")
+
+#
+# Usually, you will not need to modify anything beyond this point...
+#
+
+# Set the name of the project and target:
+SET(TARGET "main")
+
+# Declare all source files the target consists of:
+SET(TARGET_SRC
+ ./src/${TARGET}.cc
+ ./src/dft/dft.cc
+ ./src/poisson/poisson.cc
+ ./src/eigen/eigen.cc
+ ./src/force/force.cc
+ ./src/force/eshelbyTensor/eshelbyTensor.cc
+ ./src/mesh/meshMovement/meshMovement.cc
+ ./src/mesh/meshMovement/meshMovementGaussian.cc
+ ./src/mesh/meshGenerator.cc
+ ./src/symmetry/initGroupSymmetry.cc
+ ./src/symmetry/symmetrizeRho.cc
+ ./src/geoOpt/geoOptIon.cc
+ ./src/solvers/solverFunction.cc
+ ./src/solvers/nonLinearSolver.cc
+ ./src/solvers/cgPRPNonLinearSolver.cc
+ ./utils/fileReaders.cc
+ ./utils/dftParameters.cc
+ # You can specify additional files here!
+ )
+
+CMAKE_MINIMUM_REQUIRED(VERSION 2.8.8)
+
+FIND_PACKAGE(deal.II 8.4.0 QUIET
+ HINTS ${deal.II_DIR} ${DEAL_II_DIR} ../ ../../ $ENV{DEAL_II_DIR}
+ )
+IF(NOT ${deal.II_FOUND})
+ MESSAGE(FATAL_ERROR "\n"
+ "*** Could not locate deal.II. ***\n\n"
+ "You may want to either pass a flag -DDEAL_II_DIR=/path/to/deal.II to cmake\n"
+ "or set an environment variable \"DEAL_II_DIR\" that contains this path."
+ )
+ENDIF()
+
+#
+# Are all dependencies fullfilled?
+#
+IF(NOT DEAL_II_WITH_LAPACK)
+ MESSAGE(FATAL_ERROR "
+Error! The deal.II library found at ${DEAL_II_PATH} was not configured with
+ DEAL_II_WITH_LAPACK = ON
+which is required."
+ )
+ENDIF()
+
+
+DEAL_II_INITIALIZE_CACHED_VARIABLES()
+PROJECT(${TARGET})
+
+SET(WARNINGSLIST "-w -Wno-sign-compare -Wno-ignored-qualifiers -Wno-deprecated-declarations -Wno-vla-extension -Wno-reorder -Wno-sometimes-uninitialized -Wno-undefined-var-template -Wno-ignored-qualifiers")
+SET(DEAL_II_CXX_FLAGS "${DEAL_II_CXX_FLAGS} ${WARNINGSLIST}" )
+
+#Set periodic BC flag
+IF (DEFINED _ENABLE_PERIODIC)
+ ADD_DEFINITIONS(-DENABLE_PERIODIC_BC)
+ELSE()
+ ADD_DEFINITIONS(-DDISABLE_PERIODIC_BC)
+ENDIF()
+
+ADD_EXECUTABLE(${TARGET} ${TARGET_SRC})
+DEAL_II_SETUP_TARGET(${TARGET})
+
+IF (DEFINED _ENABLE_PERIODIC) 
+MESSAGE(STATUS "==== Periodic ====")
+INCLUDE_DIRECTORIES(${ALGLIB_INCLUDE} ${LIBXC_INCLUDE} ${PETSC_COMPLEX_INCLUDE} ${SLEPC_COMPLEX_INCLUDE} ${SPG_INCLUDE})
+TARGET_LINK_LIBRARIES(${TARGET} ${LIBXC_LIB} ${ALGLIB_LIB} ${PETSC_COMPLEX_LIB} ${SLEPC_COMPLEX_LIB} ${SPG_LIB})
+set(ignoreMe "${_ENABLE_PERIODIC}")
+ELSE()
+MESSAGE(STATUS "==== Non Periodic ====")
+INCLUDE_DIRECTORIES(${ALGLIB_INCLUDE} ${LIBXC_INCLUDE} ${PETSC_REAL_INCLUDE} ${SLEPC_REAL_INCLUDE} ${SPG_INCLUDE})
+TARGET_LINK_LIBRARIES(${TARGET} ${LIBXC_LIB} ${ALGLIB_LIB} ${PETSC_REAL_LIB} ${SLEPC_REAL_LIB} ${SPG_LIB})
+ENDIF()
+
+#DEAL_II_INVOKE_AUTOPILOT()
+