diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index 4dd54ddf90..cd3db7b7e9 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -38,7 +38,7 @@ find_package(UnixCommands) option(CMAKE_VERBOSE_MAKEFILE "Verbose makefile" OFF) -set(PACKAGES ASPHERE) +set(PACKAGES ASPHERE REAX) foreach(PKG ${PACKAGES}) option(ENABLE_${PKG} "Build ${PKG} Package" OFF) endforeach() @@ -90,6 +90,13 @@ foreach(PKG ${PACKAGES}) include_directories(${CMAKE_SOURCE_DIR}/../src/${PKG}) endif() endforeach() + +if(ENABLE_REAX) + enable_language(Fortran) + file(GLOB REAX_SOURCES ${CMAKE_SOURCE_DIR}/../lib/reax/*.F) + list(APPEND LIB_SOURCES ${REAX_SOURCES}) + include_directories(${CMAKE_SOURCE_DIR}/../lib/reax) +endif() include_directories(${CMAKE_SOURCE_DIR}/../src) include_directories(${CMAKE_SOURCE_DIR}/Headers) configure_file(${CMAKE_SOURCE_DIR}/Headers/package.h.cmakein ${CMAKE_BINARY_DIR}/cmake/package.h) diff --git a/cmake/Headers/package.h.cmakein b/cmake/Headers/package.h.cmakein index f582f6f7d5..9c7ff403a4 100644 --- a/cmake/Headers/package.h.cmakein +++ b/cmake/Headers/package.h.cmakein @@ -1 +1,2 @@ #cmakedefine ENABLE_ASPHERE +#cmakedefine ENABLE_REAX diff --git a/cmake/Headers/style_command.h b/cmake/Headers/style_command.h index 08f90396f7..d795f4ba0a 100644 --- a/cmake/Headers/style_command.h +++ b/cmake/Headers/style_command.h @@ -1,3 +1,4 @@ +#include "package.h" #include "balance.h" #include "change_box.h" #include "create_atoms.h" @@ -19,5 +20,4 @@ #include "write_coeff.h" #include "write_data.h" #include "write_dump.h" -#include "package.h" #include "write_restart.h" diff --git a/cmake/Headers/style_fix.h b/cmake/Headers/style_fix.h index 5d142e086b..146616124d 100644 --- a/cmake/Headers/style_fix.h +++ b/cmake/Headers/style_fix.h @@ -62,6 +62,9 @@ #include "fix_print.h" #include "fix_property_atom.h" #include "fix_read_restart.h" +#ifdef ENABLE_REAX +#include "fix_reax_bonds.h" +#endif #include "fix_recenter.h" #include "fix_respa.h" #include "fix_restrain.h" diff --git a/cmake/Headers/style_pair.h b/cmake/Headers/style_pair.h index b2ecef6a2a..067e2cdb23 100644 --- a/cmake/Headers/style_pair.h +++ b/cmake/Headers/style_pair.h @@ -34,6 +34,9 @@ #include "pair_lj_smooth_linear.h" #include "pair_mie_cut.h" #include "pair_morse.h" +#ifdef ENABLE_REAX +#include "pair_reax.h" +#endif #ifdef ENABLE_ASPHERE #include "pair_resquared.h" #endif