From bb31e3a8b271c8899b2cfc6a01ecbe9d6b1baaff Mon Sep 17 00:00:00 2001 From: "Matthew W. Thompson" Date: Tue, 13 Jan 2026 14:14:50 -0600 Subject: [PATCH 1/2] MAINT: Test on Python 3.14 --- pyproject.toml | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 4c3be4149..89a21f664 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -131,7 +131,7 @@ platforms = [ "linux-64", "osx-arm64" ] [tool.pixi.tasks] postinstall = "pip install -e . plugins/" run_mypy = { cmd = "python -m mypy -p 'openff.interchange'", depends-on = "postinstall" } -run_tests = { cmd = "python -m pytest openff/interchange/ -x --durations=20 -n logical", depends-on = "postinstall" } +run_tests = { cmd = "python -m pytest openff/interchange/ -vx --durations=20 -n logical", depends-on = "postinstall" } run_examples = { cmd = "python -m pytest examples/ -x -n logical --durations=20 --nbval-lax --dist loadscope -p no:randomly", depends-on = "postinstall" } run_regression_tests = { cmd = "sh devtools/scripts/run_regression_tests.sh", depends-on = "postinstall" } @@ -214,6 +214,8 @@ python = "3.11.*" python = "3.12.*" [tool.pixi.feature.py313.dependencies] python = "3.13.*" +[tool.pixi.feature.py314.dependencies] +python = "3.14.*" [tool.pixi.environments] py311amber = [ "py311", "test", "typing", "ambertools", "mosdef" ] @@ -226,5 +228,7 @@ py313openeye = [ "py313", "openeye", "test", "typing", "regression_tests", "engi py313examples = [ "py313", "openeye", "test", "engines", "examples" ] py311etc = [ "py311", "openeye", "mosdef", "test", "typing", "etc" ] py312etc = [ "py312", "openeye", "mosdef", "test", "typing", "etc" ] +py313etc = [ "py313", "openeye", "mosdef", "test", "typing", "etc" ] +py314nagl= [ "py314", "test"] dev = [ "py312", "openeye", "test", "typing", "dev", "engines" ] betas = [ "py311", "test", "typing", "engines", "betas" ] From d2c91a2cd4918805e9ccb0ad0a739216bfcd1371 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Tue, 13 Jan 2026 20:15:25 +0000 Subject: [PATCH 2/2] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 89a21f664..cf4f63eac 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -229,6 +229,6 @@ py313examples = [ "py313", "openeye", "test", "engines", "examples" ] py311etc = [ "py311", "openeye", "mosdef", "test", "typing", "etc" ] py312etc = [ "py312", "openeye", "mosdef", "test", "typing", "etc" ] py313etc = [ "py313", "openeye", "mosdef", "test", "typing", "etc" ] -py314nagl= [ "py314", "test"] +py314nagl = [ "py314", "test" ] dev = [ "py312", "openeye", "test", "typing", "dev", "engines" ] betas = [ "py311", "test", "typing", "engines", "betas" ]