Merge pull request #330 from pyiron/ruff

Add ruff linter

Author: jan-janssen

.ci_support/release.py

@@ -1,12 +1,19 @@
 def get_setup_version_and_pattern(setup_content):
  depend_lst, version_lst = [], []
  for l in setup_content:
- if '==' in l:
- lst = l.split('[')[-1].split(']')[0].replace(' ', '').replace('"', '').replace("'", '').split(',')
+ if "==" in l:
+ lst = (
+ l.split("[")[-1]
+ .split("]")[0]
+ .replace(" ", "")
+ .replace('"', "")
+ .replace("'", "")
+ .split(",")
+ )
  for dep in lst:
- if dep != '\n':
- version_lst.append(dep.split('==')[1])
- depend_lst.append(dep.split('==')[0])
+ if dep != "\n":
+ version_lst.append(dep.split("==")[1])
+ depend_lst.append(dep.split("==")[0])
 
  version_high_dict = {d: v for d, v in zip(depend_lst, version_lst)}
  return version_high_dict
@@ -16,14 +23,14 @@ def get_env_version(env_content):
  read_flag = False
  depend_lst, version_lst = [], []
  for l in env_content:
- if 'dependencies:' in l:
+ if "dependencies:" in l:
  read_flag = True
  elif read_flag:
- lst = l.replace('-', '').replace(' ', '').replace('\n', '').split("=")
+ lst = l.replace("-", "").replace(" ", "").replace("\n", "").split("=")
  if len(lst) == 2:
  depend_lst.append(lst[0])
  version_lst.append(lst[1])
- return {d:v for d, v in zip(depend_lst, version_lst)}
+ return {d: v for d, v in zip(depend_lst, version_lst)}
 
 
 def update_dependencies(setup_content, version_low_dict, version_high_dict):
@@ -35,27 +42,29 @@ def update_dependencies(setup_content, version_low_dict, version_high_dict):
  version_combo_dict[dep] = dep + "==" + ver
 
  setup_content_new = ""
- pattern_dict = {d:d + "==" + v for d, v in version_high_dict.items()}
+ pattern_dict = {d: d + "==" + v for d, v in version_high_dict.items()}
  for l in setup_content:
  for k, v in pattern_dict.items():
  if v in l:
  l = l.replace(v, version_combo_dict[k])
- setup_content_new +=l
+ setup_content_new += l
  return setup_content_new
 
 
 if __name__ == "__main__":
- with open('pyproject.toml', "r") as f:
+ with open("pyproject.toml", "r") as f:
  setup_content = f.readlines()
 
- with open('environment.yml', "r") as f:
+ with open("environment.yml", "r") as f:
  env_content = f.readlines()
 
  setup_content_new = update_dependencies(
  setup_content=setup_content[2:],
  version_low_dict=get_env_version(env_content=env_content),
- version_high_dict=get_setup_version_and_pattern(setup_content=setup_content[2:]),
+ version_high_dict=get_setup_version_and_pattern(
+ setup_content=setup_content[2:]
+ ),
  )
 
- with open('pyproject.toml', "w") as f:
+ with open("pyproject.toml", "w") as f:
  f.writelines("".join(setup_content[:2]) + setup_content_new)

.pre-commit-config.yaml

@@ -0,0 +1,10 @@
+repos:
+ - repo: https://github.com/astral-sh/ruff-pre-commit
+ rev: v0.4.4
+ hooks:
+ - id: ruff
+ name: ruff lint
+ args: ["--fix"]
+ files: ^pympipool/
+ - id: ruff-format
+ name: ruff format

pympipool/__init__.py

@@ -8,6 +8,10 @@
 
 
 __version__ = get_versions()["version"]
+__all__ = [
+ SubprocessExecutor,
+ ShellExecutor,
+]
 
 
 class Executor:

pympipool/shared/__init__.py

@@ -9,3 +9,17 @@
 from pympipool.shared.executorbase import cancel_items_in_queue
 from pympipool.shared.thread import RaisingThread
 from pympipool.shared.interface import MpiExecInterface, SrunInterface
+
+
+__all__ = [
+ SocketInterface,
+ interface_bootup,
+ interface_connect,
+ interface_send,
+ interface_shutdown,
+ interface_receive,
+ cancel_items_in_queue,
+ RaisingThread,
+ MpiExecInterface,
+ SrunInterface,
+]

pympipool/shell/__init__.py

@@ -1,2 +1,8 @@
 from pympipool.shell.executor import SubprocessExecutor
 from pympipool.shell.interactive import ShellExecutor
+
+
+__all__ = [
+ SubprocessExecutor,
+ ShellExecutor,
+]

setup.py

@@ -5,4 +5,4 @@
 setup(
  version=versioneer.get_version(),
  cmdclass=versioneer.get_cmdclass(),
-)
+)

tests/benchmark/llh.py

@@ -45,19 +45,37 @@ def run_static(mean=0.1, sigma=1.1, runs=32):
  from pympipool import Executor
 
  run_with_executor(
- executor=Executor, mean=0.1, sigma=1.1, runs=32, max_cores=4, backend="mpi", block_allocation=True
+ executor=Executor,
+ mean=0.1,
+ sigma=1.1,
+ runs=32,
+ max_cores=4,
+ backend="mpi",
+ block_allocation=True,
  )
  elif run_mode == "pympipool":
  from pympipool import Executor
 
  run_with_executor(
- executor=Executor, mean=0.1, sigma=1.1, runs=32, max_cores=4, backend="mpi", block_allocation=False
+ executor=Executor,
+ mean=0.1,
+ sigma=1.1,
+ runs=32,
+ max_cores=4,
+ backend="mpi",
+ block_allocation=False,
  )
  elif run_mode == "flux":
  from pympipool import Executor
 
  run_with_executor(
- executor=Executor, mean=0.1, sigma=1.1, runs=32, max_cores=4, backend="flux", block_allocation=True
+ executor=Executor,
+ mean=0.1,
+ sigma=1.1,
+ runs=32,
+ max_cores=4,
+ backend="flux",
+ block_allocation=True,
  )
  elif run_mode == "mpi4py":
  from mpi4py.futures import MPIPoolExecutor

tests/benchmark/test_results.py

@@ -9,7 +9,7 @@ def test_result(self):
  self.assertEqual(min(timing_dict, key=timing_dict.get), "process")
  self.assertEqual(max(timing_dict, key=timing_dict.get), "static")
  self.assertTrue(timing_dict["process"] < timing_dict["pympipool"])
- self.assertTrue(timing_dict["block_allocation"] < timing_dict["process"] * 1.1) 
+ self.assertTrue(timing_dict["block_allocation"] < timing_dict["process"] * 1.1)
  self.assertTrue(timing_dict["pympipool"] < timing_dict["process"] * 1.35)
  self.assertTrue(timing_dict["process"] < timing_dict["mpi4py"])
  self.assertTrue(timing_dict["block_allocation"] < timing_dict["mpi4py"])

tests/test_executor_backend_mpi_noblock.py

@@ -64,11 +64,17 @@ def test_errors(self):
  )
  with self.assertRaises(ValueError):
  with Executor(
- max_cores=1, hostname_localhost=True, backend="mpi", block_allocation=False
+ max_cores=1,
+ hostname_localhost=True,
+ backend="mpi",
+ block_allocation=False,
  ) as exe:
  exe.submit(resource_dict, resource_dict={})
  with self.assertRaises(ValueError):
  with Executor(
- max_cores=1, hostname_localhost=True, backend="mpi", block_allocation=True
+ max_cores=1,
+ hostname_localhost=True,
+ backend="mpi",
+ block_allocation=True,
  ) as exe:
  exe.submit(resource_dict, resource_dict={})