nexus: remove redundant example ctests and fix failing nexus settings ctest

CMakeLists.txt

@@ -893,7 +893,6 @@ IF(NOT(QMC_BUILD_LEVEL GREATER 4))
   SUBDIRS(examples)
   IF(IS_DIRECTORY "${PROJECT_SOURCE_DIR}/nexus")
     SUBDIRS(nexus/tests)
-    SUBDIRS(nexus/examples)
   ENDIF()
 ENDIF()
 

nexus/examples/CMakeLists.txt

@@ -1,33 +0,0 @@
-
-# Add tests for Nexus examples
-
-INCLUDE("${qmcpack_SOURCE_DIR}/CMake/python.cmake")
-
-FUNCTION(ADD_EXAMPLE_TEST test_name test_dir nexus_file)
-    #MESSAGE("Adding Nexus test ${test_name}")
-    EXECUTE_PROCESS(COMMAND ${CMAKE_COMMAND} -E copy_directory "${CMAKE_CURRENT_SOURCE_DIR}/${test_dir}" "${CMAKE_CURRENT_BINARY_DIR}/${test_dir}")
-    ADD_TEST(NAME nexus_example_${test_name} COMMAND python nexus_example_test.py "${CMAKE_CURRENT_BINARY_DIR}/${test_dir}" --nexus-file "${nexus_file}" --nexus-path "${CMAKE_CURRENT_SOURCE_DIR}/../library")
-    SET_TESTS_PROPERTIES(nexus_example_${test_name} PROPERTIES TIMEOUT 240)
-    SET_TESTS_PROPERTIES(nexus_example_${test_name} PROPERTIES LABELS "nexus")
-
-ENDFUNCTION()
-
-SET(NEXUS_PYTHON_REQS numpy)
-CHECK_PYTHON_REQS(NEXUS_PYTHON_REQS "" ADD_TEST)
-
-if (ADD_TEST)
-  MESSAGE("Adding Nexus example tests")
-  EXECUTE_PROCESS(COMMAND ${CMAKE_COMMAND} -E copy "${CMAKE_CURRENT_SOURCE_DIR}/nexus_example_test.py" "${CMAKE_CURRENT_BINARY_DIR}")
-  EXECUTE_PROCESS(COMMAND ${CMAKE_COMMAND} -E copy_directory "${CMAKE_CURRENT_SOURCE_DIR}/qmcpack/pseudopotentials" "${CMAKE_CURRENT_BINARY_DIR}/qmcpack/pseudopotentials")
-  EXECUTE_PROCESS(COMMAND ${CMAKE_COMMAND} -E copy_directory "${CMAKE_CURRENT_SOURCE_DIR}/quantum_espresso/pseudopotentials" "${CMAKE_CURRENT_BINARY_DIR}/quantum_espresso/pseudopotentials")
-  ADD_EXAMPLE_TEST(c20 qmcpack/c20 c20.py)
-  ADD_EXAMPLE_TEST(diamond qmcpack/diamond diamond.py)
-  ADD_EXAMPLE_TEST(diamond_vacancy qmcpack/diamond diamond_vacancy.py)
-  ADD_EXAMPLE_TEST(graphene qmcpack/graphene graphene.py)
-  ADD_EXAMPLE_TEST(H2O qmcpack/H2O H2O.py)
-  ADD_EXAMPLE_TEST(LiH qmcpack/LiH LiH.py)
-  ADD_EXAMPLE_TEST(oxygen_dimer qmcpack/oxygen_dimer oxygen_dimer.py)
-  ADD_EXAMPLE_TEST(relax_Ge_T_vs_kpoints    quantum_espresso/relax_Ge_T_vs_kpoints relax_vs_kpoints_example.py)
-ELSE()
-  MESSAGE("Skipping Nexus example tests because numpy is not present in python installation")
-ENDIF()

nexus/examples/nexus_example_test.py

@@ -1,67 +0,0 @@
-#from __future__ import print_function
-
-import argparse
-import os
-import sys
-
-def run_one_nexus_test(nexus_file):
-  okay = True
-  g = dict()
-
-  g['override_generate_only_setting'] = True
-  try:
-    execfile(nexus_file, g)
-  except Exception as e:
-    print('Error ',type(e),e)
-    okay = False
-  except SystemExit:
-    print('system exit called')
-    okay = False
-
-  if okay:
-    print("  pass")
-  else:
-    print("  FAIL")
-
-  return okay
-
-
-if __name__ == '__main__':
-  parser = argparse.ArgumentParser(description='Test Nexus examples')
-  parser.add_argument('test_dir',
-                      help='Directory of test to run')
-  parser.add_argument('--nexus-file',
-                     help='Name of Nexus file for this example')
-  parser.add_argument('--nexus-path',
-                      help='Path to Nexus library (for setting PYTHONPATH)')
-  args = parser.parse_args()
-
-  test_dir = args.test_dir
-  if not os.path.exists(test_dir):
-    print("Test not found: ", test_dir)
-    sys.exit(1)
-
-  curr_dir = os.getcwd()
-  os.chdir(test_dir)
-
-
-  nexus_path = args.nexus_path
-  if nexus_path:
-    if not os.path.exists(nexus_path):
-      print("Nexus path not found: ", nexus_path)
-      sys.exit(1)
-    sys.path.append(nexus_path)
-
-  nexus_file = args.nexus_file
-  if not os.path.exists(nexus_file):
-      print("Nexus file not found: ", nexus_file)
-      sys.exit(1)
-
-  ret = run_one_nexus_test(args.nexus_file)
-
-  os.chdir(curr_dir)
-
-  if ret:
-    sys.exit(0)
-  sys.exit(1)
-

nexus/executables/ntest

@@ -1614,7 +1614,11 @@ def settings_operation():
     #end check_settings_core_noncore
 
     def check_empty_settings():
-        settings()
+        settings(
+            command_line = False,
+            )
+        settings.command_line   = True
+        nexus_core.command_line = True
         check_settings_core_noncore()
         # nexus core sets basic run stages and Pseudopotentials object
         nassert(nexus_core.stages_set==set(nexus_core_defaults.primary_modes))
@@ -1660,6 +1664,7 @@ def settings_operation():
         status_only   = 0,
         generate_only = 1,
         machine       = 'ws16',
+        command_line  = False,
         )
     check_settings_core_noncore()
     nassert(nexus_core.status_only==0)