cmake: add support for REAX and hence Fortran

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)

cmake/Headers/package.h.cmakein

@@ -1 +1,2 @@
 #cmakedefine ENABLE_ASPHERE
+#cmakedefine ENABLE_REAX

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"

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"

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