Merge branch 'release-4-6'

[alexxy/gromacs.git] / CMakeLists.txt

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 43750c1d132addf3363aa3f64bbd286dcb055d5d..f758a3c412bc3f2eced825451b4ce707962c5839 100644 (file)
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -290,40 +290,6 @@ if(CMAKE_C_COMPILER_ID MATCHES "Intel" AND C_COMPILER_VERSION VERSION_LESS "12.0
     message(WARNING "Intel compilers before 12.0.0 are not routinely tested, so there may be problems. Version 11.1 with SSE4.1 is known to produce incorrect results. It is highly recommended to use a more up-to-date compiler. If you choose to use this version, make sure you run the regressiontests.")
 endif()
 
-########################################################################
-# Set up binary and library suffixing 
-########################################################################
-set(GMX_BINARY_SUFFIX "" CACHE STRING "Suffix for GROMACS binaries (default: _d for double, _mpi for MPI, _mpi_d for MPI and double).")
-set(GMX_LIBS_SUFFIX "" 
-  CACHE STRING "Suffix for GROMACS libs (default: _d for double, _mpi for MPI, _mpi_d for MPI and double).")
-if (GMX_DEFAULT_SUFFIX)
-  set(GMX_BINARY_SUFFIX "")
-  set(GMX_LIBS_SUFFIX "")
-  if (GMX_MPI)
-    set(GMX_BINARY_SUFFIX "_mpi")
-    set(GMX_LIBS_SUFFIX "_mpi")
-  endif(GMX_MPI)
-  if (GMX_DOUBLE)
-    set (GMX_BINARY_SUFFIX "${GMX_BINARY_SUFFIX}_d")
-    set (GMX_LIBS_SUFFIX "${GMX_LIBS_SUFFIX}_d")
-  endif(GMX_DOUBLE)
-  mark_as_advanced(FORCE GMX_BINARY_SUFFIX GMX_LIBS_SUFFIX)
-  if (NOT SUFFIX_QUIETLY)
-    message(STATUS "Using default binary suffix: \"${GMX_BINARY_SUFFIX}\"")
-    message(STATUS "Using default library suffix: \"${GMX_LIBS_SUFFIX}\"")
-  endif (NOT SUFFIX_QUIETLY)
-else(GMX_DEFAULT_SUFFIX)
-  mark_as_advanced(CLEAR GMX_BINARY_SUFFIX GMX_LIBS_SUFFIX)
-  if (NOT SUFFIX_QUIETLY)
-    message(STATUS "Using manually set binary suffix: \"${GMX_BINARY_SUFFIX}\"")
-    message(STATUS "Using manually set library suffix: \"${GMX_LIBS_SUFFIX}\"")
-  endif (NOT SUFFIX_QUIETLY)
-endif(GMX_DEFAULT_SUFFIX)
-if (GMX_BUILD_MDRUN_ONLY)
-    set(GMX_LIBS_SUFFIX "_mdrun${GMX_LIBS_SUFFIX}")
-endif ()
-set(SUFFIX_QUIETLY TRUE CACHE INTERNAL "")
-
 set(PKG_CFLAGS "")
 if(GMX_DOUBLE)
     set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_DOUBLE")
@@ -775,7 +741,7 @@ elseif(${GMX_CPU_ACCELERATION} STREQUAL "AVX_128_FMA" OR ${GMX_CPU_ACCELERATION}
         GMX_TEST_CFLAG(MSVC_AVX_CFLAG "/arch:AVX" ACCELERATION_C_FLAGS)
     endif (NOT GNU_AVX_CFLAG AND GMX_NATIVE_WINDOWS)
     if (NOT GNU_AVX_CFLAG AND NOT MSVC_AVX_CFLAG)
-        message(WARNING "No C AVX flag found. Consider a newer compiler, or try SSE4.1 (lower performance).")
+        message(WARNING "No C AVX flag found. Consider a newer compiler, or try SSE4.1 (lower performance) giving the -DGMX_CPU_ACCELERATION=SSE4.1 to cmake.")
     endif (NOT GNU_AVX_CFLAG AND NOT MSVC_AVX_CFLAG)
 
     GMX_TEST_CXXFLAG(GNU_AVX_CXXFLAG "-mavx" ACCELERATION_CXX_FLAGS)
@@ -783,7 +749,7 @@ elseif(${GMX_CPU_ACCELERATION} STREQUAL "AVX_128_FMA" OR ${GMX_CPU_ACCELERATION}
         GMX_TEST_CXXFLAG(MSVC_AVX_CXXFLAG "/arch:AVX" ACCELERATION_CXX_FLAGS)
     endif (NOT GNU_AVX_CXXFLAG AND GMX_NATIVE_WINDOWS)
     if (NOT GNU_AVX_CXXFLAG AND NOT MSVC_AVX_CXXFLAG)
-       message(WARNING "No C++ AVX flag found. Consider a newer compiler, or try SSE4.1 (lower performance).")
+        message(WARNING "No C++ AVX flag found. Consider a newer compiler, or try SSE4.1 (lower performance) giving the -DGMX_CPU_ACCELERATION=SSE4.1 to cmake.")
     endif (NOT GNU_AVX_CXXFLAG AND NOT MSVC_AVX_CXXFLAG)
 
     # Set the FMA4 flags (MSVC doesn't require any)
@@ -939,15 +905,14 @@ if(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
     else()
       find_package(FFTW COMPONENTS ${FFTW})
     endif()
+    if(NOT ${FFTW}_FOUND)
+      MESSAGE(FATAL_ERROR "Cannot find FFTW 3 (with correct precision - libfftw3f for single-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()
 
     string(TOUPPER "${FFTW}" FFTW)
     set(PKG_FFT "${${FFTW}_PKG}")
     include_directories(${${FFTW}_INCLUDE_DIRS})
     set(FFT_LIBRARIES ${${FFTW}_LIBRARIES})
-    if(NOT ${FFTW}_FOUND)
-      MESSAGE(FATAL_ERROR "Cannot find FFTW 3 (with correct precision - libfftw3f for single-precision GROMACS or libfftw3 for double-precision GROMACS). Either choose the right precision, choose another FFT(W) library, enable the advanced option to let GROMACS build FFTW 3 for you, or use the really slow GROMACS built-in fftpack library.")
-    endif()
-
     set(GMX_FFT_FFTW3 1)
 
     if ((${GMX_CPU_ACCELERATION} MATCHES "SSE" OR ${GMX_CPU_ACCELERATION} MATCHES "AVX") AND NOT ${FFTW}_HAVE_SIMD)
@@ -1155,6 +1120,40 @@ set(INCL_INSTALL_DIR ${GMX_INSTALL_PREFIX}include)
 
 set(GMXLIBDIR        ${DATA_INSTALL_DIR}/top)
 
+########################################################################
+# Set up binary and library suffixing
+########################################################################
+set(GMX_BINARY_SUFFIX "" CACHE STRING "Suffix for GROMACS binaries (default: _d for double, _mpi for MPI, _mpi_d for MPI and double).")
+set(GMX_LIBS_SUFFIX ""
+  CACHE STRING "Suffix for GROMACS libs (default: _d for double, _mpi for MPI, _mpi_d for MPI and double).")
+if (GMX_DEFAULT_SUFFIX)
+  set(GMX_BINARY_SUFFIX "")
+  set(GMX_LIBS_SUFFIX "")
+  if (GMX_LIB_MPI)
+    set(GMX_BINARY_SUFFIX "_mpi")
+    set(GMX_LIBS_SUFFIX "_mpi")
+  endif()
+  if (GMX_DOUBLE)
+    set (GMX_BINARY_SUFFIX "${GMX_BINARY_SUFFIX}_d")
+    set (GMX_LIBS_SUFFIX "${GMX_LIBS_SUFFIX}_d")
+  endif(GMX_DOUBLE)
+  mark_as_advanced(FORCE GMX_BINARY_SUFFIX GMX_LIBS_SUFFIX)
+  if (NOT SUFFIX_QUIETLY)
+    message(STATUS "Using default binary suffix: \"${GMX_BINARY_SUFFIX}\"")
+    message(STATUS "Using default library suffix: \"${GMX_LIBS_SUFFIX}\"")
+  endif (NOT SUFFIX_QUIETLY)
+else(GMX_DEFAULT_SUFFIX)
+  mark_as_advanced(CLEAR GMX_BINARY_SUFFIX GMX_LIBS_SUFFIX)
+  if (NOT SUFFIX_QUIETLY)
+    message(STATUS "Using manually set binary suffix: \"${GMX_BINARY_SUFFIX}\"")
+    message(STATUS "Using manually set library suffix: \"${GMX_LIBS_SUFFIX}\"")
+  endif (NOT SUFFIX_QUIETLY)
+endif(GMX_DEFAULT_SUFFIX)
+if (GMX_BUILD_MDRUN_ONLY)
+    set(GMX_LIBS_SUFFIX "_mdrun${GMX_LIBS_SUFFIX}")
+endif ()
+set(SUFFIX_QUIETLY TRUE CACHE INTERNAL "")
+
 ##################################################################
 # Shared library settings
 ##################################################################