Merge release-5-0 into release-5-1

[alexxy/gromacs.git] / cmake / gmxManageFFTLibraries.cmake

diff --git a/cmake/gmxManageFFTLibraries.cmake b/cmake/gmxManageFFTLibraries.cmake
index 6f9c440b07fd4d5782646460e6a7dcbcb1ac78cd..90fdcd37bcf94a315a7a3d32245a5ff3481043c6 100644 (file)
--- a/cmake/gmxManageFFTLibraries.cmake
+++ b/cmake/gmxManageFFTLibraries.cmake
@@ -59,52 +59,48 @@ gmx_dependent_cache_variable(
     PATH ""
     MKL_MANUALLY)
 if(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
+    # ${FFTW} must be in upper case
     if(GMX_DOUBLE)
-        set(FFTW fftw)
+        set(FFTW "FFTW")
     else()
-        set(FFTW fftwf)
+        set(FFTW "FFTWF")
     endif()
 
-    # Note that these calls are expected to function the same way,
-    # particularly with respect to setting CMake variables that
-    # record the presence of particular FFTW SIMD support.
-    # TODO There is no need for this requirement, all the remaining
-    # code here can be refactored to have just one check of
-    # GMX_BUILD_OWN_FFTW, which simplifies both code paths.
     if(GMX_BUILD_OWN_FFTW)
-      add_subdirectory(src/contrib/fftw)
+        add_subdirectory(src/contrib/fftw)
+        include_directories(BEFORE ${${FFTW}_INCLUDE_DIRS})
+        # libgmxfftw is always built static, so libgromacs does not
+        # have a dependency on anything, so PKG_FFT should be empty
+        set(PKG_FFT "")
+        set(FFT_STATUS_MESSAGE "Using external FFT library - FFTW3 build managed by GROMACS")
     else()
-      find_package(FFTW COMPONENTS ${FFTW})
-    endif()
+        string(TOLOWER "${FFTW}" LOWERFFTW)
+        find_package(FFTW COMPONENTS ${LOWERFFTW})
 
-    string(TOUPPER "${FFTW}" FFTW)
-    if(NOT ${FFTW}_FOUND)
-      MESSAGE(FATAL_ERROR "Cannot find FFTW 3 (with correct precision - libfftw3f for mixed-precision GROMACS or libfftw3 for double-precision GROMACS). Either choose the right precision, choose another FFT(W) library (-DGMX_FFT_LIBRARY), enable the advanced option to let GROMACS build FFTW 3 for you (-GMX_BUILD_OWN_FFTW=ON), or use the really slow GROMACS built-in fftpack library (-DGMX_FFT_LIBRARY=fftpack).")
-    endif()
+        if(NOT ${FFTW}_FOUND)
+            MESSAGE(FATAL_ERROR "Cannot find FFTW 3 (with correct precision - libfftw3f for mixed-precision GROMACS or libfftw3 for double-precision GROMACS). Either choose the right precision, choose another FFT(W) library (-DGMX_FFT_LIBRARY), enable the advanced option to let GROMACS build FFTW 3 for you (-DGMX_BUILD_OWN_FFTW=ON), or use the really slow GROMACS built-in fftpack library (-DGMX_FFT_LIBRARY=fftpack).")
+        endif()
 
-    set(PKG_FFT "${${FFTW}_PKG}")
-    if (GMX_BUILD_OWN_FFTW)
-        include_directories(BEFORE ${${FFTW}_INCLUDE_DIRS})
-    else()
+        set(PKG_FFT "${${FFTW}_PKG}")
         include_directories(${${FFTW}_INCLUDE_DIRS})
-    endif()
-    set(FFT_LIBRARIES ${${FFTW}_LIBRARIES})
-    set(GMX_FFT_FFTW3 1)
 
-    if ((${GMX_SIMD} MATCHES "SSE" OR ${GMX_SIMD} MATCHES "AVX") AND NOT ${FFTW}_HAVE_SIMD)
-      message(WARNING "The fftw library found is compiled without SIMD support, which makes it slow. Consider recompiling it or contact your admin")
-    else()
-      if(${GMX_SIMD} MATCHES "AVX" AND NOT (${FFTW}_HAVE_SSE OR ${FFTW}_HAVE_SSE2))
-        # If we end up here we have an AVX Gromacs build, and FFTW
-        # with SIMD. FFTW 3.3.5 will have the behaviour that
-        # configuring with AVX support also adds SSE support, which is
-        # what we want. There is no good way to detect the FFTW
-        # version, however.
-        message(WARNING "The FFTW library was compiled with neither --enable-sse nor --enable-sse2; those would have enabled SSE(2) SIMD instructions. This will give suboptimal performance. You should (re)compile the FFTW library with both SSE2 and AVX instruction support (use both --enable-sse2 and --enable-avx). More recent versions of FFTW compile support for such narrower SIMD by default.")
+        if ((${GMX_SIMD} MATCHES "SSE" OR ${GMX_SIMD} MATCHES "AVX") AND NOT ${FFTW}_HAVE_SIMD)
+            message(WARNING "The fftw library found is compiled without SIMD support, which makes it slow. Consider recompiling it or contact your admin")
+        else()
+            if(${GMX_SIMD} MATCHES "AVX" AND NOT (${FFTW}_HAVE_SSE OR ${FFTW}_HAVE_SSE2))
+                # If we end up here we have an AVX Gromacs build, and FFTW
+                # with SIMD. FFTW 3.3.5 will have the behaviour that
+                # configuring with AVX support also adds SSE support, which is
+                # what we want. There is no good way to detect the FFTW
+                # version, however.
+                message(WARNING "The FFTW library was compiled with neither --enable-sse nor --enable-sse2; those would have enabled SSE(2) SIMD instructions. This will give suboptimal performance. You should (re)compile the FFTW library with both SSE2 and AVX instruction support (use both --enable-sse2 and --enable-avx). More recent versions of FFTW compile support for such narrower SIMD by default.")
+            endif()
+            set(FFT_STATUS_MESSAGE "Using external FFT library - FFTW3")
         endif()
     endif()
 
-    set(FFT_STATUS_MESSAGE "Using external FFT library - FFTW3")
+    set(FFT_LIBRARIES ${${FFTW}_LIBRARIES})
+    set(GMX_FFT_FFTW3 1)
 elseif(${GMX_FFT_LIBRARY} STREQUAL "MKL")
     # Intel 11 and up makes life somewhat easy if you just want to use
     # all their stuff. It's not easy if you only want some of their