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Include Nox code quality check PR workflow #25

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Merged
cplett merged 2 commits into from
Dec 10, 2025
Merged

Include Nox code quality check PR workflow #25

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2c94a77
Addition of Nox PR check
cplett Dec 10, 2025
02a2a2c
Fix oet for windows
cplett Dec 10, 2025
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37 changes: 37 additions & 0 deletions .github/workflows/pr_nox.yml
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Original file line number Diff line number Diff line change
@@ -0,0 +1,37 @@
name: PR quality (nox)

on:
pull_request:
branches: [ "main" ]

jobs:
nox:
strategy:
fail-fast: false
matrix:
include:
- os: ubuntu-latest
python-version: "3.11"
- os: ubuntu-latest
python-version: "3.12"
- os: ubuntu-latest
python-version: "3.13"
- os: windows-latest
python-version: "3.13"
- os: macos-latest
python-version: "3.13"
runs-on: ${{ matrix.os }}
steps:
- name: Check out repository
uses: actions/checkout@v4

- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}

- name: Install nox
run: python -m pip install --upgrade pip nox

- name: Run Nox static checks
run: python -m nox -t static_check
7 changes: 5 additions & 2 deletions src/oet/server_client/server.py
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Expand Up @@ -22,6 +22,7 @@
import logging
import os
import signal
import sys
import threading
import time
import traceback
Expand Down Expand Up @@ -542,7 +543,8 @@ def worker_initializer() -> None:
"""Initialize a worker process by restoring default signal handling."""
signal.signal(signal.SIGTERM, signal.SIG_DFL)
signal.signal(signal.SIGINT, signal.SIG_DFL)
signal.signal(signal.SIGHUP, signal.SIG_DFL)
if sys.platform != "win32":
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@stgeo stgeo Dec 10, 2025

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Could probably remove this completely - might have been over-ambitious to catch HUP.

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@cplett cplett Dec 10, 2025

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I don’t expect this to cause any issues anymore, so we might leave it as is for now. It may help catch occasional SSH connection losses.

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@stgeo stgeo Dec 10, 2025

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Yeah, leave it for now.

signal.signal(signal.SIGHUP, signal.SIG_DFL)


def main() -> None:
Expand Down Expand Up @@ -616,7 +618,8 @@ def main() -> None:

signal.signal(signal.SIGTERM, lambda s, f: cleanup_and_exit(s, f, executor, parser))
signal.signal(signal.SIGINT, lambda s, f: cleanup_and_exit(s, f, executor, parser))
signal.signal(signal.SIGHUP, lambda s, f: cleanup_and_exit(s, f, executor, parser))
if sys.platform != "win32":
signal.signal(signal.SIGHUP, lambda s, f: cleanup_and_exit(s, f, executor, parser))

# Create workers
workers = args.nthreads
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3 changes: 2 additions & 1 deletion tests/mlatom/test_mlatom.py
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@@ -1,4 +1,5 @@
import unittest

import torchani

from oet import ROOT_DIR
Expand Down Expand Up @@ -33,7 +34,7 @@ class MLatomTests(unittest.TestCase):
def setUpClass(cls):
# Force download / initialization of ANI-1ccx once
torchani.models.ANI1ccx(periodic_table_index=True)

def test_H2O_engrad(self):
xyz_file, input_file, engrad_out, output_file = get_filenames("H2O")
write_xyz_file(xyz_file, WATER)
Expand Down