diff --git a/tools/regression-tests/run_tests.py b/tools/regression-tests/run_tests.py index 7645660621..7d49ff37ec 100644 --- a/tools/regression-tests/run_tests.py +++ b/tools/regression-tests/run_tests.py @@ -175,7 +175,7 @@ def iterate(input_list, removeAnnotatedInput=False): process_markers(input, input_test) else: - print("Input {input} does not have REG markers") + print(f"SKIPPED: {input} does not have REG markers") continue input_markers = input + '.markers' @@ -234,7 +234,7 @@ def iterate(input_list, removeAnnotatedInput=False): print(f"{thermo[0]['keywords'][i].ljust(width)} {str(val).rjust(20)} {str(ref).rjust(20)} {str(diff).rjust(20)}") print("-"*(4*width+3)) else: - print(f"{thermo_ref_file} does not exist") + print(f"SKIPPED: {thermo_ref_file} does not exist") test_id = test_id + 1 @@ -288,8 +288,17 @@ if __name__ == "__main__": # Using inplace input scripts + example_subfolders = [] + example_subfolders.append("../../examples/melt") + + if 'MOLECULE' in packages: + molecule_package = True + example_subfolders.append('../../examples/micelle') + + inplace_input = True if inplace_input == True: + # save current working dir p = subprocess.run("pwd", shell=True, text=True, capture_output=True) pwd = p.stdout.split('\n')[0] @@ -298,24 +307,32 @@ if __name__ == "__main__": # change dir to a folder under examples/ # TODO: loop through the subfolders under examples/, depending on the installed packages - directory = "../../examples/melt" - print("Entering " + directory) - os.chdir(directory) + for directory in example_subfolders: - # create a symbolic link to the lammps binary at the present directory - cmd_str = "ln -s " + lmp_binary + " lmp" - os.system(cmd_str) - input_list=['in.melt'] - - # iterate through the input scripts - iterate(input_list) + print("Entering " + directory) + os.chdir(directory) - # unlink the symbolic link - cmd_str = "unlink lmp" - os.system(cmd_str) - # get back to the working dir - cmd_str = "cd " + pwd - os.system(cmd_str) + # create a symbolic link to the lammps binary at the present directory + cmd_str = "ln -s " + lmp_binary + " lmp" + os.system(cmd_str) + + cmd_str = "ls in.*" + p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True) + input_list = p.stdout.split('\n') + input_list.remove('') + + print("List of input scripts:") + print(input_list) + + # iterate through the input scripts + iterate(input_list) + + # unlink the symbolic link + cmd_str = "unlink lmp" + os.system(cmd_str) + # get back to the working dir + cmd_str = "cd " + pwd + os.system(cmd_str) else: # or using the input scripts in the working directory