Merge branch 'master' into fft

cmake/Modules/Packages/KIM.cmake

@@ -13,6 +13,9 @@ if(PKG_KIM)
   endif()
   option(DOWNLOAD_KIM "Download KIM-API from OpenKIM instead of using an already installed one" ${DOWNLOAD_KIM_DEFAULT})
   if(DOWNLOAD_KIM)
+    if(CMAKE_GENERATOR STREQUAL "Ninja")
+      message(FATAL_ERROR "Cannot build downloaded KIM-API library with Ninja build tool")
+    endif()
     message(STATUS "KIM-API download requested - we will build our own")
     enable_language(C)
     enable_language(Fortran)

cmake/Modules/Packages/KSPACE.cmake

@@ -1,5 +1,5 @@
 if(PKG_KSPACE)
-  option(FFT_SINGLE "Use single precision FFT instead of double" OFF)
+  option(FFT_SINGLE "Use single precision FFTs instead of double precision FFTs" OFF)
   set(FFTW "FFTW3")
   if(FFT_SINGLE)
     set(FFTW "FFTW3F")
@@ -7,26 +7,30 @@ if(PKG_KSPACE)
   endif()
   find_package(${FFTW} QUIET)
   if(${FFTW}_FOUND)
-    set(FFT "${FFTW}" CACHE STRING "FFT library for KSPACE package")
+    set(FFT "FFTW3" CACHE STRING "FFT library for KSPACE package")
   else()
     set(FFT "KISS" CACHE STRING "FFT library for KSPACE package")
   endif()
-  set(FFT_VALUES KISS ${FFTW} MKL CUFFT)
+  set(FFT_VALUES KISS FFTW MKL CUFFT)
   set_property(CACHE FFT PROPERTY STRINGS ${FFT_VALUES})
   validate_option(FFT FFT_VALUES)
   string(TOUPPER ${FFT} FFT)
-  if(NOT FFT STREQUAL "KISS")
-    find_package(${FFT} REQUIRED)
-    if(NOT FFT STREQUAL "FFTW3F")
-      add_definitions(-DFFT_FFTW)
-    else()
-      add_definitions(-DFFT_${FFT})
-    endif()
-    include_directories(${${FFT}_INCLUDE_DIRS})
-    list(APPEND LAMMPS_LINK_LIBS ${${FFT}_LIBRARIES})
+
+  if(FFT STREQUAL "FFTW3")
+    find_package(${FFTW} REQUIRED)
+    add_definitions(-DFFT_FFTW3)
+    include_directories(${${FFTW}_INCLUDE_DIRS})
+    list(APPEND LAMMPS_LINK_LIBS ${${FFTW}_LIBRARIES})
+  elseif(FFT STREQUAL "MKL")
+    find_package(MKL REQUIRED)
+    add_definitions(-DFFT_MKL)
+    include_directories(${MKL_INCLUDE_DIRS})
+    list(APPEND LAMMPS_LINK_LIBS ${MKL_LIBRARIES})
   else()
+    # last option is KISSFFT
     add_definitions(-DFFT_KISS)
   endif()
+
   set(FFT_PACK "array" CACHE STRING "Optimization for FFT")
   set(FFT_PACK_VALUES array pointer memcpy)
   set_property(CACHE FFT_PACK PROPERTY STRINGS ${FFT_PACK_VALUES})

cmake/Modules/Packages/LATTE.cmake

@@ -11,6 +11,9 @@ if(PKG_LATTE)
     if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR
       message(FATAL_ERROR "For downlading LATTE you need at least cmake-3.7")
     endif()
+    if(CMAKE_GENERATOR STREQUAL "Ninja")
+      message(FATAL_ERROR "Cannot build downloaded LATTE library with Ninja build tool")
+    endif()
     message(STATUS "LATTE download requested - we will build our own")
     include(ExternalProject)
     ExternalProject_Add(latte_build

cmake/Modules/Packages/MSCG.cmake

@@ -11,6 +11,9 @@ if(PKG_MSCG)
     if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR
       message(FATAL_ERROR "For downlading MSCG you need at least cmake-3.7")
     endif()
+    if(CMAKE_GENERATOR STREQUAL "Ninja")
+      message(FATAL_ERROR "Cannot build downloaded MSCG library with Ninja build tool")
+    endif()
     include(ExternalProject)
     if(NOT LAPACK_FOUND)
       set(EXTRA_MSCG_OPTS "-DLAPACK_LIBRARIES=${CMAKE_CURRENT_BINARY_DIR}/liblinalg.a")

cmake/Modules/Packages/USER-PLUMED.cmake

@@ -17,6 +17,9 @@ if(PKG_USER-PLUMED)
 
   option(DOWNLOAD_PLUMED "Download Plumed package instead of using an already installed one" ${DOWNLOAD_PLUMED_DEFAULT})
   if(DOWNLOAD_PLUMED)
+    if(CMAKE_GENERATOR STREQUAL "Ninja")
+      message(FATAL_ERROR "Cannot build downloaded Plumed library with Ninja build tool")
+    endif()
     if(BUILD_MPI)
       set(PLUMED_CONFIG_MPI "--enable-mpi")
       set(PLUMED_CONFIG_CC  ${CMAKE_MPI_C_COMPILER})

cmake/Modules/Packages/USER-SCAFACOS.cmake

@@ -13,6 +13,9 @@ if(PKG_USER-SCAFACOS)
   endif()
   option(DOWNLOAD_SCAFACOS "Download ScaFaCoS library instead of using an already installed one" ${DOWNLOAD_SCAFACOS_DEFAULT})
   if(DOWNLOAD_SCAFACOS)
+    if(CMAKE_GENERATOR STREQUAL "Ninja")
+      message(FATAL_ERROR "Cannot build downloaded ScaFaCoS library with Ninja build tool")
+    endif()
     message(STATUS "ScaFaCoS download requested - we will build our own")
     include(ExternalProject)
     ExternalProject_Add(scafacos_build

cmake/Modules/Packages/VORONOI.cmake

@@ -7,6 +7,9 @@ if(PKG_VORONOI)
   endif()
   option(DOWNLOAD_VORO "Download and compile the Voro++ library instead of using an already installed one" ${DOWNLOAD_VORO_DEFAULT})
   if(DOWNLOAD_VORO)
+    if(CMAKE_GENERATOR STREQUAL "Ninja")
+      message(FATAL_ERROR "Cannot build downloaded Voro++ library with Ninja build tool")
+    endif()
     message(STATUS "Voro++ download requested - we will build our own")
     include(ExternalProject)