diff --git a/tools/regression-tests/run_tests.py b/tools/regression-tests/run_tests.py index 2a9ad79327..65667f042a 100644 --- a/tools/regression-tests/run_tests.py +++ b/tools/regression-tests/run_tests.py @@ -146,6 +146,7 @@ def get_lammps_build_configuration(lmp_binary): cmd_str = lmp_binary + " -h" p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True) output = p.stdout.split('\n') + packages = "" reading = False row = 0 for l in output: @@ -153,9 +154,11 @@ def get_lammps_build_configuration(lmp_binary): if l == "Installed packages:": reading = True n = row + if "List of individual style options" in l: + reading = False if reading == True and row > n: - packages = l.strip() - break + packages += l.strip() + " " + if "OS:" in l: operating_system = l if "Git info" in l: @@ -163,6 +166,8 @@ def get_lammps_build_configuration(lmp_binary): row += 1 + packages = packages.strip() + row = 0 compile_flags = "" for l in output: @@ -292,6 +297,7 @@ def iterate(input_list, config, removeAnnotatedInput=False): thermo_ref = extract_data_to_yaml(file) num_runs_ref = len(thermo_ref) else: + print(f"Cannot find reference log file with {pattern}") # read in the thermo yaml output from the working directory thermo_ref_file = 'thermo.' + input + '.yaml' file_exist = os.path.isfile(thermo_ref_file) @@ -385,7 +391,7 @@ if __name__ == "__main__": args = parser.parse_args() - lmp_binary = args.lmp_binary + lmp_binary = os.path.abspath(args.lmp_binary) config_file= args.config_file genref = args.genref @@ -419,15 +425,26 @@ if __name__ == "__main__": # append the example subfolders depending on the installed packages if 'MOLECULE' in packages: - molecule_package = True example_subfolders.append('../../examples/micelle') + #if 'ASPHERE' in packages: + # example_subfolders.append('../../examples/ASPHERE/ellipsoid') + + if 'COLLOID' in packages: + example_subfolders.append('../../examples/colloid') + + if 'DIPOLE' in packages: + example_subfolders.append('../../examples/dipole') + + if 'MANYBODY' in packages: + example_subfolders.append('../../examples/tersoff') + 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] - print("Working dir" + pwd) + print("Working directory: " + pwd) # change dir to a folder under examples/ # TODO: loop through the subfolders under examples/, depending on the installed packages