comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-26 21:25:19 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

precommit: Fix check for data/POTENTIAL file

Browse source
This commit is contained in:
Ole Schütt 2020-08-25 22:05:32 +02:00 • committed by Ole Schütt
parent 7593782fc3
commit bb453db103
2 changed files with 14 additions and 5 deletions
Download patch file Download diff file Expand all files Collapse all files

16
tools/precommit/precommit.py
View file

@ -103,7 +103,9 @@ def main():
candidate_file_list += [os.path.join(root, fn) for fn in files]
# Find eligible files and sort by size as larger ones will take longer to process.
eligible_file_pattern = re.compile(r".*(_POTENTIALS|(\.(F|fypp|c|cu|h|py|md)))$")
eligible_file_pattern = re.compile(
r"(./data/.*POTENTIALS?)|(.*\.(F|fypp|c|cu|h|py|md))$"
)
file_list = [fn for fn in candidate_file_list if eligible_file_pattern.match(fn)]
file_list.sort(reverse=True, key=lambda fn: os.path.getsize(fn))
@ -190,8 +192,8 @@ def process_file(fn, allow_modifications):
elif re.match(r".*\.md$", fn):
run_remote_tool("markdownlint", fn)
elif re.match(r".*_POTENTIALS$", fn):
run_local_tool("make", "data/POTENTIAL")
elif re.match(r"./data/.*POTENTIALS?$", fn):
check_data_files()
else:
raise Exception("Unknown file extension: " + fn)
@ -234,6 +236,14 @@ def run_analyze_src(fn):
)
# ======================================================================================
def check_data_files():
potential_files = [f"./data/{x}_POTENTIALS" for x in ("GTH", "HF", "NLCC", "ALL")]
expected_content = "".join([Path(fn).read_text() for fn in potential_files])
if Path("./data/POTENTIAL").read_text() != expected_content:
raise Exception("The data files are out of sync - please run `make data`.")
# ======================================================================================
def run_local_tool(*cmd, timeout=20):
p = subprocess.run(cmd, timeout=timeout, stdout=PIPE, stderr=STDOUT)