Merge branch 'cmake' of github.com:junghans/lammps into cmake

cmake/CMakeLists.txt

@@ -5,6 +5,7 @@ set(SOVERSION 0)
 set(LAMMPS_SOURCE_DIR ${CMAKE_SOURCE_DIR}/../src)
 set(LAMMPS_LIB_SOURCE_DIR ${CMAKE_SOURCE_DIR}/../lib)
 
+# Cmake modules/macros are in a subdirectory to keep this file cleaner
 set(CMAKE_MODULE_PATH ${CMAKE_SOURCE_DIR}/Modules)
 
 if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_C_FLAGS)
@@ -39,7 +40,7 @@ find_package(UnixCommands)
 
 option(CMAKE_VERBOSE_MAKEFILE "Verbose makefile" OFF)
 
-set(PACKAGES ASPHERE REAX)
+set(PACKAGES ASPHERE KSPACE REAX)
 foreach(PKG ${PACKAGES})
   option(ENABLE_${PKG} "Build ${PKG} Package" OFF)
 endforeach()
@@ -49,6 +50,15 @@ foreach(PKG ${ACCEL_PACKAGES})
   option(ENABLE_${PKG} "Build ${PKG} Package" OFF)
 endforeach()
 
+if(ENABLE_KSPACE)
+  find_package(FFTW3)
+  if(FFTW3_FOUND)
+    add_definitions(-DFFT_FFTW3)
+    include_directories(${FFTW3_INCLUDE_DIRS})
+    list(APPEND LAMMPS_LINK_LIBS ${FFTW3_LIBRARIES})
+  endif()
+endif()
+
 find_package(JPEG)
 if(JPEG_FOUND)
   add_definitions(-DLAMMPS_JPEG)

cmake/Modules/FindFFTW3.cmake

@@ -0,0 +1,25 @@
+# - Find fftw3
+# Find the native FFTW3 headers and libraries.
+#
+#  FFTW3_INCLUDE_DIRS - where to find fftw3.h, etc.
+#  FFTW3_LIBRARIES    - List of libraries when using fftw3.
+#  FFTW3_FOUND        - True if fftw3 found.
+#
+
+find_package(PkgConfig)
+
+pkg_check_modules(PC_FFTW3 fftw3)
+find_path(FFTW3_INCLUDE_DIR fftw3.h HINTS ${PC_FFTW3_INCLUDE_DIRS})
+
+find_library(FFTW3_LIBRARY NAMES fftw3 HINTS ${PC_FFTW3_LIBRARY_DIRS})
+
+set(FFTW3_LIBRARIES ${FFTW3_LIBRARY})
+set(FFTW3_INCLUDE_DIRS ${FFTW3_INCLUDE_DIR})
+
+include(FindPackageHandleStandardArgs)
+# handle the QUIETLY and REQUIRED arguments and set FFTW3_FOUND to TRUE
+# if all listed variables are TRUE
+
+find_package_handle_standard_args(FFTW3 DEFAULT_MSG FFTW3_LIBRARY FFTW3_INCLUDE_DIR)
+
+mark_as_advanced(FFTW3_INCLUDE_DIR FFTW3_LIBRARY )