Loading cmake/CMakeLists.txt +8 −1 Original line number Diff line number Diff line Loading @@ -56,6 +56,13 @@ if (${CMAKE_CXX_COMPILER_ID} STREQUAL "Intel") set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -restrict") endif() option(DISABLE_CXX11_REQUIREMENT "Disable check that requires C++11 for compiling LAMMPS" OFF) if(DISABLE_CXX11_REQUIREMENT) add_definitions(-DLAMMPS_CXX98) else() set(CMAKE_CXX_STANDARD 11) endif() # GNU compiler features if (${CMAKE_CXX_COMPILER_ID} STREQUAL "GNU") option(ENABLE_COVERAGE "Enable code coverage" OFF) Loading doc/src/Build_settings.txt +23 −0 Original line number Diff line number Diff line Loading @@ -12,6 +12,7 @@ Optional build settings :h3 LAMMPS can be built with several optional settings. Each sub-section explain how to do this for building both with CMake and make. "C++11 standard compliance test"_#cxx11 when building all of LAMMPS "FFT library"_#fft for use with the "kspace_style pppm"_kspace_style.html command "Size of LAMMPS data types"_#size "Read or write compressed files"_#gzip Loading @@ -23,6 +24,28 @@ explain how to do this for building both with CMake and make. :line C++11 standard compliance test :h4,link(cxx11) The LAMMPS developers plan to transition to make the C++11 standard the minimum requirement for compiling LAMMPS. Currently this only applies to some packages like KOKKOS while the rest aims to be compatible with the C++98 standard. Most currently used compilers are compatible with C++11; some need to set extra flags to switch. To determine the impact of requiring C++11, we have added a simple compliance test to the source code, that will cause the compilation to abort, if C++11 compliance is not available or enabled. To bypass this check, you need to change a setting in the makefile or when calling CMake. [CMake variable]: -D DISABLE_CXX11_REQUIREMENT=yes [Makefile.machine setting]: LMP_INC = -DLAMMPS_CXX98 :line FFT library :h4,link(fft) When the KSPACE package is included in a LAMMPS build, the Loading src/MAKE/Makefile.mpi +3 −3 Original line number Diff line number Diff line Loading @@ -26,12 +26,12 @@ SHLIBFLAGS = -shared # if you change any -D setting, do full re-compile after "make clean" # LAMMPS ifdef settings # see possible settings in Section 2.2 (step 4) of manual # see possible settings in Section 3.5 of the manual LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 # -DLAMMPS_CXX98 # MPI library # see discussion in Section 2.2 (step 5) of manual # see discussion in Section 3.4 of the manual # MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial # use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts Loading src/MAKE/Makefile.serial +3 −3 Original line number Diff line number Diff line Loading @@ -26,12 +26,12 @@ SHLIBFLAGS = -shared # if you change any -D setting, do full re-compile after "make clean" # LAMMPS ifdef settings # see possible settings in Section 2.2 (step 4) of manual # see possible settings in Section 3.5 of the manual LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 # -DLAMMPS_CXX98 # MPI library # see discussion in Section 2.2 (step 5) of manual # see discussion in Section 3.4 of the manual # MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial # use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts Loading src/lammps.cpp +13 −0 Original line number Diff line number Diff line Loading @@ -444,6 +444,19 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) : if ((universe->me == 0) && !helpflag) { if (screen) fprintf(screen,"LAMMPS (%s)\n",universe->version); if (logfile) fprintf(logfile,"LAMMPS (%s)\n",universe->version); #if defined(LAMMPS_CXX98) const char warning[] = "\nWARNING-WARNING-WARNING-WARNING-WARNING\n" "This LAMMPS executable was compiled using C++98 compatibility.\n" "Please report the compiler info below at https://github.com/lammps/lammps/issues/1659\n"; const char *infobuf = Info::get_compiler_info(); if (screen) fprintf(screen,"%s%s\nWARNING-WARNING-WARNING-WARNING-WARNING\n\n", warning,infobuf); if (logfile) fprintf(logfile,"%s%s\nWARNING-WARNING-WARNING-WARNING-WARNING\n\n", warning,infobuf); delete[] infobuf; #endif } // universe is one or more worlds, as setup by partition switch Loading Loading
cmake/CMakeLists.txt +8 −1 Original line number Diff line number Diff line Loading @@ -56,6 +56,13 @@ if (${CMAKE_CXX_COMPILER_ID} STREQUAL "Intel") set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -restrict") endif() option(DISABLE_CXX11_REQUIREMENT "Disable check that requires C++11 for compiling LAMMPS" OFF) if(DISABLE_CXX11_REQUIREMENT) add_definitions(-DLAMMPS_CXX98) else() set(CMAKE_CXX_STANDARD 11) endif() # GNU compiler features if (${CMAKE_CXX_COMPILER_ID} STREQUAL "GNU") option(ENABLE_COVERAGE "Enable code coverage" OFF) Loading
doc/src/Build_settings.txt +23 −0 Original line number Diff line number Diff line Loading @@ -12,6 +12,7 @@ Optional build settings :h3 LAMMPS can be built with several optional settings. Each sub-section explain how to do this for building both with CMake and make. "C++11 standard compliance test"_#cxx11 when building all of LAMMPS "FFT library"_#fft for use with the "kspace_style pppm"_kspace_style.html command "Size of LAMMPS data types"_#size "Read or write compressed files"_#gzip Loading @@ -23,6 +24,28 @@ explain how to do this for building both with CMake and make. :line C++11 standard compliance test :h4,link(cxx11) The LAMMPS developers plan to transition to make the C++11 standard the minimum requirement for compiling LAMMPS. Currently this only applies to some packages like KOKKOS while the rest aims to be compatible with the C++98 standard. Most currently used compilers are compatible with C++11; some need to set extra flags to switch. To determine the impact of requiring C++11, we have added a simple compliance test to the source code, that will cause the compilation to abort, if C++11 compliance is not available or enabled. To bypass this check, you need to change a setting in the makefile or when calling CMake. [CMake variable]: -D DISABLE_CXX11_REQUIREMENT=yes [Makefile.machine setting]: LMP_INC = -DLAMMPS_CXX98 :line FFT library :h4,link(fft) When the KSPACE package is included in a LAMMPS build, the Loading
src/MAKE/Makefile.mpi +3 −3 Original line number Diff line number Diff line Loading @@ -26,12 +26,12 @@ SHLIBFLAGS = -shared # if you change any -D setting, do full re-compile after "make clean" # LAMMPS ifdef settings # see possible settings in Section 2.2 (step 4) of manual # see possible settings in Section 3.5 of the manual LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 # -DLAMMPS_CXX98 # MPI library # see discussion in Section 2.2 (step 5) of manual # see discussion in Section 3.4 of the manual # MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial # use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts Loading
src/MAKE/Makefile.serial +3 −3 Original line number Diff line number Diff line Loading @@ -26,12 +26,12 @@ SHLIBFLAGS = -shared # if you change any -D setting, do full re-compile after "make clean" # LAMMPS ifdef settings # see possible settings in Section 2.2 (step 4) of manual # see possible settings in Section 3.5 of the manual LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 # -DLAMMPS_CXX98 # MPI library # see discussion in Section 2.2 (step 5) of manual # see discussion in Section 3.4 of the manual # MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial # use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts Loading
src/lammps.cpp +13 −0 Original line number Diff line number Diff line Loading @@ -444,6 +444,19 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) : if ((universe->me == 0) && !helpflag) { if (screen) fprintf(screen,"LAMMPS (%s)\n",universe->version); if (logfile) fprintf(logfile,"LAMMPS (%s)\n",universe->version); #if defined(LAMMPS_CXX98) const char warning[] = "\nWARNING-WARNING-WARNING-WARNING-WARNING\n" "This LAMMPS executable was compiled using C++98 compatibility.\n" "Please report the compiler info below at https://github.com/lammps/lammps/issues/1659\n"; const char *infobuf = Info::get_compiler_info(); if (screen) fprintf(screen,"%s%s\nWARNING-WARNING-WARNING-WARNING-WARNING\n\n", warning,infobuf); if (logfile) fprintf(logfile,"%s%s\nWARNING-WARNING-WARNING-WARNING-WARNING\n\n", warning,infobuf); delete[] infobuf; #endif } // universe is one or more worlds, as setup by partition switch Loading
