From 12c03de0ba5824ce9f5724d370e3979e2f529ebf Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= Date: Tue, 2 May 2023 11:45:13 +0200 Subject: [PATCH] Reformat with black 23.3.0 --- src/start/python/sample_force_env.py | 1 - tools/apptainer/generate_apptainer_def_files.py | 3 --- tools/build_utils/check_archives.py | 1 + tools/build_utils/discover_programs.py | 1 + tools/conventions/analyze_gfortran_warnings.py | 1 + tools/conventions/summarize_issues.py | 1 - tools/coverage/test_coverage.py | 1 + tools/dashboard/generate_dashboard.py | 6 +----- tools/dashboard/generate_regtest_survey.py | 1 + tools/docker/generate_dockerfiles.py | 1 + tools/docker/scripts/plot_performance.py | 1 + tools/fix_unused_public.py | 1 - tools/logo/gen_cp2k_logo.py | 1 + tools/minimax_tools/minimax_to_fortran_source.py | 1 - tools/precommit/format_makefile.py | 1 - tools/precommit/precommit.py | 1 + tools/precommit/precommit_server.py | 1 + tools/prettify/prettify_test.py | 1 - tools/regtesting/do_regtest.py | 2 +- tools/regtesting/prettify_TEST_FILES.py | 1 + 20 files changed, 13 insertions(+), 15 deletions(-) diff --git a/src/start/python/sample_force_env.py b/src/start/python/sample_force_env.py index 711f054665..c116ae8ba4 100755 --- a/src/start/python/sample_force_env.py +++ b/src/start/python/sample_force_env.py @@ -57,7 +57,6 @@ TEST_FILE_CONTENT = """ def sample_run(input_file_path): - with cp2k.ForceEnvironment(input_file_path, "/dev/null") as fenv: print("potential energy: {:e}".format(fenv.potential_energy)) print("calculating energy..") diff --git a/tools/apptainer/generate_apptainer_def_files.py b/tools/apptainer/generate_apptainer_def_files.py index 05693cd91a..5a06881763 100755 --- a/tools/apptainer/generate_apptainer_def_files.py +++ b/tools/apptainer/generate_apptainer_def_files.py @@ -84,7 +84,6 @@ def main() -> None: ) for release in cp2k_release_list: - if args.release != "all" and args.release != release: continue @@ -94,7 +93,6 @@ def main() -> None: prefix = f"{package}-{release}" for mpi_implementation in mpi_implementation_list: - if ( args.mpi_implementation != "all" and args.mpi_implementation != mpi_implementation @@ -157,7 +155,6 @@ def write_definition_file( target_cpu: str, testopts: str, ) -> str: - if release == "master": branch = "" else: diff --git a/tools/build_utils/check_archives.py b/tools/build_utils/check_archives.py index bed401cd55..5f3cf85c33 100755 --- a/tools/build_utils/check_archives.py +++ b/tools/build_utils/check_archives.py @@ -17,6 +17,7 @@ KNOWN_EXTENSIONS = ( "cc", ) + # ============================================================================= def main(): if len(sys.argv) != 4: diff --git a/tools/build_utils/discover_programs.py b/tools/build_utils/discover_programs.py index 44f521e710..409ac9aeb8 100755 --- a/tools/build_utils/discover_programs.py +++ b/tools/build_utils/discover_programs.py @@ -9,6 +9,7 @@ from os import path re_program = re.compile(r"\n\s*end\s*program") re_main = re.compile(r"\sint\s+main\s*\(") + # ============================================================================ def main(): if len(sys.argv) != 2: diff --git a/tools/conventions/analyze_gfortran_warnings.py b/tools/conventions/analyze_gfortran_warnings.py index 6f0ee11461..bfbdfd1308 100755 --- a/tools/conventions/analyze_gfortran_warnings.py +++ b/tools/conventions/analyze_gfortran_warnings.py @@ -46,6 +46,7 @@ IGNORED_WARNINGS = ( "style of line directive is a GCC extension", ) + # ====================================================================================== def check_warnings(fhandle): loc = loc_short = "" diff --git a/tools/conventions/summarize_issues.py b/tools/conventions/summarize_issues.py index ff5c7cba85..847a79fd5d 100755 --- a/tools/conventions/summarize_issues.py +++ b/tools/conventions/summarize_issues.py @@ -7,7 +7,6 @@ import argparse def summarize(issue_files, suppressions): - suppress = [] if suppressions: diff --git a/tools/coverage/test_coverage.py b/tools/coverage/test_coverage.py index 6d43fe103f..dfd288eb36 100755 --- a/tools/coverage/test_coverage.py +++ b/tools/coverage/test_coverage.py @@ -8,6 +8,7 @@ from os import path from pprint import pformat from datetime import datetime + # =============================================================================== def main(): if len(sys.argv) != 3: diff --git a/tools/dashboard/generate_dashboard.py b/tools/dashboard/generate_dashboard.py index 25789d3cef..088dc20828 100755 --- a/tools/dashboard/generate_dashboard.py +++ b/tools/dashboard/generate_dashboard.py @@ -42,6 +42,7 @@ from matplotlib.ticker import AutoMinorLocator # type: ignore GitSha = NewType("GitSha", str) ReportStatus = Literal["OK", "FAILED", "OUTDATED", "UNKNOWN"] + # ====================================================================================== class GitLog: def __init__(self) -> None: @@ -157,7 +158,6 @@ def main() -> None: def gen_frontpage( config: ConfigParser, log: GitLog, status_fn: Path, outdir: Path, send_emails: bool ) -> None: - status: Dict[str, Status] = {} if path.exists(status_fn): with open(status_fn, "rb") as f: @@ -239,7 +239,6 @@ def gen_frontpage( # ====================================================================================== def gen_archive(config: ConfigParser, log: GitLog, outdir: Path) -> None: - for s in config.sections(): print(f"Working on archive page of: {s}") name = config.get(s, "name") @@ -354,7 +353,6 @@ def gen_url_list(config: ConfigParser, outdir: Path) -> None: def gen_plots( archive_reports: Dict[GitSha, Report], log: GitLog, outdir: Path, full_archive: bool ) -> str: - ordered_shas = [c.sha for c in log.commits] ordered_reports = [archive_reports[s] for s in ordered_shas if s in archive_reports] @@ -414,7 +412,6 @@ def make_plot_data(fn: Path, plot: AggregatedPlot, max_age: int, log: GitLog) -> def make_plot_image( fn: Path, plot: AggregatedPlot, max_age: int, full_archive: bool ) -> None: - # Setup figure. fig = plt.figure(figsize=(12, 4)) fig.subplots_adjust(bottom=0.18, left=0.06, right=0.70) @@ -468,7 +465,6 @@ def send_notification( s: str, send_emails: bool, ) -> None: - idx_end = log.index_by_sha[report.sha] if report.sha else 0 if not last_ok: return # we don't know when this started diff --git a/tools/dashboard/generate_regtest_survey.py b/tools/dashboard/generate_regtest_survey.py index f8fb9d98d2..1eb417034c 100755 --- a/tools/dashboard/generate_regtest_survey.py +++ b/tools/dashboard/generate_regtest_survey.py @@ -16,6 +16,7 @@ import re # ====================================================================================== Report = NewType("Report", Dict[str, str]) + # ====================================================================================== @dataclasses.dataclass class TestDef: diff --git a/tools/docker/generate_dockerfiles.py b/tools/docker/generate_dockerfiles.py index bdc5311056..34ad22ed59 100755 --- a/tools/docker/generate_dockerfiles.py +++ b/tools/docker/generate_dockerfiles.py @@ -7,6 +7,7 @@ from typing import Any import argparse import io + # ====================================================================================== def main() -> None: parser = argparse.ArgumentParser() diff --git a/tools/docker/scripts/plot_performance.py b/tools/docker/scripts/plot_performance.py index 7515659ccb..fed0dc42a0 100755 --- a/tools/docker/scripts/plot_performance.py +++ b/tools/docker/scripts/plot_performance.py @@ -6,6 +6,7 @@ import re import sys from collections import OrderedDict + # ====================================================================================== def main(): if len(sys.argv) < 4 or (len(sys.argv) - 1) % 3 != 0: diff --git a/tools/fix_unused_public.py b/tools/fix_unused_public.py index 0b9ca035ec..6cc78b358d 100755 --- a/tools/fix_unused_public.py +++ b/tools/fix_unused_public.py @@ -87,7 +87,6 @@ def clean_publics(fn, unused): without_comment = re.sub("!.*", "", line).strip() if len(without_comment) > 0 and without_comment[-1] != "&": - # flush new_public for i, entry in enumerate(new_public): if i == 0: diff --git a/tools/logo/gen_cp2k_logo.py b/tools/logo/gen_cp2k_logo.py index 89d617c681..69edebb5ab 100755 --- a/tools/logo/gen_cp2k_logo.py +++ b/tools/logo/gen_cp2k_logo.py @@ -7,6 +7,7 @@ import os import sys + # ------------------------------------------------------------------------------- def main(): gen_povray() diff --git a/tools/minimax_tools/minimax_to_fortran_source.py b/tools/minimax_tools/minimax_to_fortran_source.py index a994ab06e2..52d418e098 100755 --- a/tools/minimax_tools/minimax_to_fortran_source.py +++ b/tools/minimax_tools/minimax_to_fortran_source.py @@ -103,7 +103,6 @@ def format_array( begin: str = "[", end: str = "]", ) -> List[str]: - lines: List[str] = [" " * indent + begin] for i, x in enumerate(array): if i % wrap == 0 and i > 0: diff --git a/tools/precommit/format_makefile.py b/tools/precommit/format_makefile.py index 43d14c8f2b..39f880120d 100755 --- a/tools/precommit/format_makefile.py +++ b/tools/precommit/format_makefile.py @@ -16,7 +16,6 @@ def main() -> None: lines_out = [] continuation = False for line in makefile.read_text(encoding="utf8").split("\n"): - # Remove trailing whitespaces. line = line.rstrip() diff --git a/tools/precommit/precommit.py b/tools/precommit/precommit.py index 5692a36279..0f927b7574 100755 --- a/tools/precommit/precommit.py +++ b/tools/precommit/precommit.py @@ -26,6 +26,7 @@ SCRATCH_DIR = Path("./obj/precommit") CACHE_FILE = SCRATCH_DIR / "cache.json" SERVER = os.environ.get("CP2K_PRECOMMIT_SERVER", "https://precommit.cp2k.org") + # ====================================================================================== def main() -> None: # Parse command line arguments. diff --git a/tools/precommit/precommit_server.py b/tools/precommit/precommit_server.py index e2bb934a13..2318b218b8 100755 --- a/tools/precommit/precommit_server.py +++ b/tools/precommit/precommit_server.py @@ -16,6 +16,7 @@ app.config["MAX_CONTENT_LENGTH"] = 1024 * 1024 # 1MB app.logger.setLevel(logging.INFO) app.logger.info("CP2K Precommit Server is up and running :-)") + # ====================================================================================== @app.route("/") def hello(): diff --git a/tools/prettify/prettify_test.py b/tools/prettify/prettify_test.py index e21a1c544b..130912a515 100755 --- a/tools/prettify/prettify_test.py +++ b/tools/prettify/prettify_test.py @@ -23,7 +23,6 @@ class TestSingleFileFolder(unittest.TestCase): shutil.rmtree(self.tempdir) def test_prettify(self): - # call prettify, the return value should be 0 (OK) self.assertEqual(main([self.fname]), 0) diff --git a/tools/regtesting/do_regtest.py b/tools/regtesting/do_regtest.py index b1296e4fb4..20c9bdb503 100755 --- a/tools/regtesting/do_regtest.py +++ b/tools/regtesting/do_regtest.py @@ -39,6 +39,7 @@ KEEPALIVE_SKIP_DIRS = [ "QS/regtest-mp2-grad-2", ] + # ====================================================================================== async def main() -> None: parser = argparse.ArgumentParser(description="Runs CP2K regression test suite.") @@ -575,7 +576,6 @@ async def run_regtests_classic(batch: Batch, cfg: Config) -> List[TestResult]: def eval_regtest( batch: Batch, test: Regtest, duration: float, returncode: int, timed_out: bool ) -> TestResult: - output_bytes = test.out_path.read_bytes() if test.out_path.exists() else b"" output = output_bytes.decode("utf8", errors="replace") output_tail = "\n".join(output.split("\n")[-100:]) diff --git a/tools/regtesting/prettify_TEST_FILES.py b/tools/regtesting/prettify_TEST_FILES.py index c2bc5b2afd..731d27a052 100755 --- a/tools/regtesting/prettify_TEST_FILES.py +++ b/tools/regtesting/prettify_TEST_FILES.py @@ -5,6 +5,7 @@ import sys from os import path + # =============================================================================== def main(): if len(sys.argv) != 2: