some cleanup of the cmake scripts

CMakeLists.txt

@@ -93,6 +93,7 @@ option(USE_EXTERNAL_LAPACK "Use external LAPACK/BLAS library (linear algebra ope
 option(USE_LIBXC "Use the libxc library for access (exchange-correlation energies and potentials)." ON)
 option(USE_LIBCINT "Use the libcint library (calculation of molecular integrals with Gaussian functions)." ON)
 option(USE_READLINE "Use the readline library (improved command-line interface)." ON)
+option(USE_NLOPT "Use the nlopt library (global optimization for variable-cell crystal structure comparison)." ON)
 option(ENABLE_OPENMP "Enable OpenMP parallelization." ON)
 option(BUILD_STATIC "Build critic2 statically (tested only on linux, and no GUI)." OFF)
 
@@ -253,7 +254,9 @@ if (USE_LIBCINT)
 endif()
 
 ## nlopt
-find_package(NLOPT)
+if (USE_NLOPT)
+  find_package(NLOPT)
+endif()
 
 ## the syntax.txt target
 add_custom_target(syntax

cmake/Modules/FindNLOPT.cmake

@@ -46,3 +46,6 @@ find_package_handle_standard_args(NLOPT
     FAIL_MESSAGE  DEFAULT_MSG
     REQUIRED_VARS NLOPT_INCLUDE_DIRS NLOPT_LIBRARIES
     VERSION_VAR   NLOPT_VERSION)
+
+# hide library and include variables
+mark_as_advanced(NLOPT_INCLUDE_DIRS NLOPT_LIBRARIES)

src/CMakeLists.txt

@@ -110,26 +110,26 @@ target_sources(critic2 PRIVATE $<TARGET_OBJECTS:json-fortran>)
 add_dependencies(critic2_core json-fortran)
 
 ## libxc
-if (LIBXC_FOUND)
+if (USE_LIBXC AND LIBXC_FOUND)
   include_directories("${LIBXC_INCLUDE_DIRS}")
   target_link_libraries(critic2 PRIVATE ${LIBXC_xcf90_LIBRARY} ${LIBXC_xc_LIBRARY})
   add_definitions("-DHAVE_LIBXC")
 endif()
 
 ## libcint
-if (LIBCINT_FOUND)
+if (USE_LIBCINT AND LIBCINT_FOUND)
   target_link_libraries(critic2 PRIVATE ${LIBCINT_LIBRARY})
   add_definitions("-DHAVE_CINT")
 endif()
 
 ## readline
-if (READLINE_FOUND)
+if (USE_READLINE AND READLINE_FOUND)
   target_link_libraries(critic2 PRIVATE ${READLINE_LIBRARY})
   add_definitions("-DHAVE_READLINE")
 endif()
 
 ## libnlopt
-if (NLOPT_FOUND)
+if (USE_NLOPT AND NLOPT_FOUND)
   target_link_libraries(critic2 PRIVATE ${NLOPT_LIBRARIES})
   add_definitions("-DHAVE_NLOPT")
   include_directories("${NLOPT_INCLUDE_DIRS}")