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Switch to pyproject.toml #152

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4dd338b
Initial plan
Copilot Apr 27, 2026
fb73075
Switch from setup.py/setup.cfg to pyproject.toml
Copilot Apr 27, 2026
fc86f83
Update pytest flag
mattwthompson Apr 27, 2026
47ad4d8
Tooling changes
mattwthompson Apr 27, 2026
8e723ba
Leave minimum Python in place
mattwthompson Apr 27, 2026
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2 changes: 1 addition & 1 deletion .github/workflows/CI.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -33,7 +33,7 @@ jobs:
- false

env:
PYTEST_ARGS: -v -nauto --cov=openforcefields --cov-config=setup.cfg --cov-append --cov-report=xml
PYTEST_ARGS: -v -nauto --cov=openforcefields --cov-config=pyproject.toml --cov-append --cov-report=xml

steps:
- uses: actions/checkout@v6
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6 changes: 5 additions & 1 deletion .pre-commit-config.yaml
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Expand Up @@ -8,7 +8,11 @@ repos:
- id: trailing-whitespace
- id: debug-statements
- repo: https://github.com/astral-sh/ruff-pre-commit
rev: v0.15.9
rev: v0.15.12
hooks:
- id: ruff
- id: ruff-format
- repo: https://github.com/tox-dev/pyproject-fmt
rev: v2.21.1
hooks:
- id: pyproject-fmt
1 change: 0 additions & 1 deletion MANIFEST.in
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6 changes: 3 additions & 3 deletions openforcefields/__init__.py
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Expand Up @@ -2,8 +2,8 @@
OpenFF Force fields
"""

from openforcefields.openforcefields import get_forcefield_dirs_paths
from importlib.metadata import version

from . import _version
from openforcefields.openforcefields import get_forcefield_dirs_paths

__version__ = _version.get_versions()["version"]
__version__ = version("openforcefields")
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