Add missing quotes

[alexxy/gromacs.git] / CMakeLists.txt

diff --git a/CMakeLists.txt b/CMakeLists.txt
index ed24af96150276cb1bf39fd1106cd3212660f105..e4c92d25265da83fe2fd613ce8433cc0fd3c9472 100644 (file)
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -58,15 +58,15 @@ set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin)
 # NOTE: when releasing the "-dev" suffix needs to be stripped off!
 # REGRESSIONTEST_VERSION and REGRESSIONTEST_BRANCH should always be
 # defined.
-set(PROJECT_VERSION "5.0.1-dev")
+set(PROJECT_VERSION "5.0.2-dev")
 # If this is a released tarball, "-dev" will not be present in
 # PROJECT_VERSION, and REGRESSIONTEST_VERSION specifies the version
 # number of the regressiontest tarball against which the code tarball
 # can be tested. This will be the version of the last patch release.
-set(REGRESSIONTEST_VERSION "5.0.1-dev")
+set(REGRESSIONTEST_VERSION "5.0.2-dev")
 # The MD5 checksum of the regressiontest tarball. Only used if "-dev"
 # is not present in the PROJECT_VERSION
-set(REGRESSIONTEST_MD5SUM "a07524afebca5013540d4f2f72df2dce")
+set(REGRESSIONTEST_MD5SUM "8c048dd4636a95a4c22870b249106bc5")
 # If this is not a released tarball, "-dev" will be present in
 # PROJECT_VERSION, and REGRESSIONTEST_BRANCH specifies the name of the
 # gerrit.gromacs.org branch whose HEAD can test this code, *if* this
@@ -132,6 +132,7 @@ set(build_types_with_explicit_flags RELEASE DEBUG RELWITHDEBUGINFO RELWITHASSERT
 
 enable_language(C)
 enable_language(CXX)
+set_property(GLOBAL PROPERTY FIND_LIBRARY_USE_LIB64_PATHS ON)
 
 set(CPACK_PACKAGE_NAME "gromacs")
 set(CPACK_PACKAGE_VERSION ${PROJECT_VERSION})
@@ -190,6 +191,16 @@ if(CMAKE_HOST_UNIX)
             "Hostname of the machine where the cache was generated.")
 endif()
 
+########################################################################
+# Detect architecture before setting options so we can alter defaults
+########################################################################
+# Detect the architecture the compiler is targetting, detect
+# SIMD instructions possibilities on that hardware, suggest SIMD instruction set
+# to use if none is specified, and populate the cache option for CPU
+# SIMD.
+include(gmxDetectTargetArchitecture)
+gmx_detect_target_architecture()
+
 ########################################################################
 # User input options                                                   #
 ########################################################################
@@ -197,7 +208,16 @@ include(gmxOptionUtilities)
 
 set(CMAKE_PREFIX_PATH "" CACHE STRING "Extra locations to search for external libraries and tools (give directory without lib, bin, or include)")
 
-option(GMX_DOUBLE "Use double precision (much slower, use only if you really need it)" OFF)
+if(GMX_TARGET_FUJITSU_SPARC64)
+    # Fujitsu only has SIMD in double precision, so this will be faster
+    set(GMX_DOUBLE_DEFAULT ON)
+else()
+    set(GMX_DOUBLE_DEFAULT OFF)
+endif()
+option(GMX_DOUBLE "Use double precision (much slower, use only if you really need it)" ${GMX_DOUBLE_DEFAULT})
+option(GMX_RELAXED_DOUBLE_PRECISION "Accept single precision 1/sqrt(x) when using Fujitsu HPC-ACE SIMD" OFF)
+mark_as_advanced(GMX_RELAXED_DOUBLE_PRECISION)
+
 option(GMX_MPI    "Build a parallel (message-passing) version of GROMACS" OFF)
 option(GMX_THREAD_MPI  "Build a thread-MPI-based multithreaded version of GROMACS (not compatible with MPI)" ON)
 gmx_dependent_option(
@@ -225,13 +245,6 @@ endif()
 set(REQUIRED_CUDA_COMPUTE_CAPABILITY 2.0)
 include(gmxManageGPU)
 
-# Detect the architecture the compiler is targetting, detect
-# SIMD instructions possibilities on that hardware, suggest SIMD instruction set
-# to use if none is specified, and populate the cache option for CPU
-# SIMD.
-include(gmxDetectTargetArchitecture)
-gmx_detect_target_architecture()
-
 if(GMX_CPU_ACCELERATION)
     # Stay compatible with old Jenkins command line options for specific SIMD acceleration
     set(GMX_SIMD "${GMX_CPU_ACCELERATION}" CACHE STRING "SIMD instruction set level and compiler optimization" FORCE)
@@ -372,21 +385,17 @@ set(PKG_CFLAGS "")
 if(GMX_DOUBLE)
     add_definitions(-DGMX_DOUBLE)
     set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_DOUBLE")
+    if(GMX_RELAXED_DOUBLE_PRECISION)
+        add_definitions(-DGMX_RELAXED_DOUBLE_PRECISION)
+    endif()
 endif()
 if(GMX_SOFTWARE_INVSQRT)
   set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_SOFTWARE_INVSQRT")
 endif()
 
 if(WIN32 AND NOT CYGWIN)
-    set(GMX_WSOCKLIB_PATH CACHE PATH "Path to winsock (wsock32.lib) library.")
-    mark_as_advanced(GMX_WSOCKLIB_PATH)
-    find_library(WSOCK32_LIBRARY NAMES wsock32 PATHS ${GMX_WSOCKLIB_PATH})
-    if(WSOCK32_LIBRARY)
-        list(APPEND GMX_EXTRA_LIBRARIES ${WSOCK32_LIBRARY})
-        add_definitions(-DGMX_HAVE_WINSOCK)
-    else()
-        message(STATUS "No winsock found. Cannot use interactive molecular dynamics (IMD).")
-    endif(WSOCK32_LIBRARY)
+    list(APPEND GMX_EXTRA_LIBRARIES "wsock32")
+    add_definitions(-DGMX_HAVE_WINSOCK)
 endif()
 
 
@@ -445,6 +454,10 @@ if(${CMAKE_SYSTEM_NAME} MATCHES BlueGene)
     include(gmxManageBlueGene)
 endif()
 
+if(GMX_TARGET_FUJITSU_SPARC64)
+    include(gmxManageFujitsuSparc64)
+endif()
+
 ########################################################################
 #Process MPI settings
 ########################################################################
@@ -596,6 +609,13 @@ if (GMX_BUILD_UNITTESTS AND NOT HAVE_LIBXML2)
         "Either set GMX_BUILD_UNITTESTS=OFF or tell CMake how to find a working version of libxml2.")
 endif()
 
+if(GMX_USE_TNG AND NOT GMX_EXTERNAL_TNG)
+    # TNG wants zlib if it is available
+    find_package(ZLIB QUIET)
+    include(gmxTestZLib)
+    gmx_test_zlib(HAVE_ZLIB)
+endif()
+
 ########################################################################
 # Generate development version info for cache
 ########################################################################