Add CMake dependencies for GPAW4QMCPACK converter

CMakeLists.txt

@@ -1024,6 +1024,19 @@ if(NOT QMC_NO_SLOW_CUSTOM_TESTING_COMMANDS)
   endif()
 endif()
 
+#-------------------------------------------------------------------
+# Check if GPAW and ASE are available
+#-------------------------------------------------------------------
+if(NOT QMC_NO_SLOW_CUSTOM_TESTING_COMMANDS)
+  test_python_module(ase HAVE_ASE)
+  test_python_module(gpaw HAVE_GPAW)
+  if(HAVE_ASE AND HAVE_GPAW)
+    message(STATUS "Successfully imported ASE and GPAW python modules.")
+  else()
+    message(STATUS "Unable to import GPAW and ASE python modules. GPAW converter tests will not be run.")
+  endif()
+endif()
+
 #-------------------------------------------------------------------
 # Check if QE executables available at QE_BIN or on the PATH
 #-------------------------------------------------------------------

src/QMCTools/CMakeLists.txt

@@ -51,7 +51,9 @@ if(USE_OBJECT_TARGET)
   target_link_libraries(qmcfinitesize qmcparticle qmcutil)
 endif()
 
-configure_file(gpaw4qmcpack ${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/gpaw4qmcpack COPYONLY)
+if (HAVE_ASE AND HAVE_GPAW)
+  configure_file(gpaw4qmcpack ${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/gpaw4qmcpack COPYONLY)
+endif()
 
 install(TARGETS convert4qmc qmc-extract-eshdf-kvectors qmc-get-supercell qmc-check-affinity convertpw4qmc qmcfinitesize
         RUNTIME DESTINATION bin)

tests/converter/CMakeLists.txt

@@ -65,19 +65,20 @@ add_converter_test(test_diamond2_rmg)
 add_converter_test(test_O_rmg)
 
 # add tests for GPAW4QMCPACK converter
-function(ADD_GPAW4QMCPACK_TEST test_name)
+if (HAVE_GPAW AND HAVE_ASE)
+  function(ADD_GPAW4QMCPACK_TEST test_name)
 	set(EXE_NAME ${qmcpack_BINARY_DIR}/bin/gpaw4qmcpack)
-  execute_process(COMMAND ${CMAKE_COMMAND} -E copy "${CMAKE_CURRENT_SOURCE_DIR}/gpaw4qmcpack_test.py"
-                          "${CMAKE_CURRENT_BINARY_DIR}")
-  execute_process(COMMAND ${CMAKE_COMMAND} -E copy_directory "${CMAKE_CURRENT_SOURCE_DIR}/${test_name}"
-                          "${CMAKE_CURRENT_BINARY_DIR}/${test_name}")
-  add_test(NAME gpaw4qmcpack_test COMMAND "${CMAKE_CURRENT_BINARY_DIR}/gpaw4qmcpack_test.py"
-	 "${CMAKE_CURRENT_BINARY_DIR}/${test_name}"
+    execute_process(COMMAND ${CMAKE_COMMAND} -E copy "${CMAKE_CURRENT_SOURCE_DIR}/gpaw4qmcpack_test.py"
+                            "${CMAKE_CURRENT_BINARY_DIR}")
+    execute_process(COMMAND ${CMAKE_COMMAND} -E copy_directory "${CMAKE_CURRENT_SOURCE_DIR}/${test_name}"
+                            "${CMAKE_CURRENT_BINARY_DIR}/${test_name}")
+    add_test(NAME gpaw4qmcpack_test COMMAND "${CMAKE_CURRENT_BINARY_DIR}/gpaw4qmcpack_test.py"
+	"${CMAKE_CURRENT_BINARY_DIR}/${test_name}"
 	 --exe "${EXE_NAME}" --h5diff "${HDF5_DIFF_EXECUTABLE}")
-  message(${EXE_NAME})
-  set_tests_properties(gpaw4qmcpack_test PROPERTIES
-                         FAIL_REGULAR_EXPRESSION "  FAIL"
-                         PASS_REGULAR_EXPRESSION "  pass"
-                         TIMEOUT 120 LABELS "converter;deterministic")
-endfunction()
-add_gpaw4qmcpack_test(test_Si_diamond)
+    set_tests_properties(gpaw4qmcpack_test PROPERTIES
+                           FAIL_REGULAR_EXPRESSION "  FAIL"
+                           PASS_REGULAR_EXPRESSION "  pass"
+                           TIMEOUT 120 LABELS "converter;deterministic")
+  endfunction()
+  add_gpaw4qmcpack_test(test_Si_diamond)
+endif()