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Updated in place testing case, assuming in.* are input scripts, skipping input scripts without REG markers for now

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This commit is contained in:
Trung Nguyen
2023-12-10 22:56:53 -06:00
parent fbbdd5bcad
commit 2ed03164b7
1 changed files with 35 additions and 18 deletions
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53
tools/regression-tests/run_tests.py
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@ -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