From 3c27c0f0be7505ca692ce7e74878c9238b3d3ac1 Mon Sep 17 00:00:00 2001 From: "Matthew W. Thompson" Date: Thu, 14 May 2026 13:33:11 -0500 Subject: [PATCH 1/4] Bump Mypy --- devtools/conda-envs/openeye.yaml | 2 +- openff/toolkit/topology/molecule.py | 2 +- pyproject.toml | 1 - 3 files changed, 2 insertions(+), 3 deletions(-) diff --git a/devtools/conda-envs/openeye.yaml b/devtools/conda-envs/openeye.yaml index 61f75e468..e58923532 100644 --- a/devtools/conda-envs/openeye.yaml +++ b/devtools/conda-envs/openeye.yaml @@ -39,7 +39,7 @@ dependencies: - qcengine - mdtraj - nglview - - mypy =1.18 + - mypy =2.1 - typing_extensions - pip: - types-setuptools diff --git a/openff/toolkit/topology/molecule.py b/openff/toolkit/topology/molecule.py index 24097677c..fee8216df 100644 --- a/openff/toolkit/topology/molecule.py +++ b/openff/toolkit/topology/molecule.py @@ -5654,7 +5654,7 @@ def _networkx_graph_to_hill_formula(graph: "nx.Graph[int]") -> str: if not isinstance(graph, nx.Graph): raise ValueError("The graph must be a NetworkX graph.") - atom_nums: list[int] = [atomic_number for (_, atomic_number) in graph.nodes(data="atomic_number", default=1)] + atom_nums: list[int] = [atomic_number for (_, atomic_number) in graph.nodes(data="atomic_number", default=1)] # type: ignore[misc] return _atom_nums_to_hill_formula(atom_nums) # type:ignore[arg-type] diff --git a/pyproject.toml b/pyproject.toml index 5ba267c84..eac6ca15f 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -44,7 +44,6 @@ lint.isort.known-third-party = [ "openff.interchange", "openff.utilities", "open [tool.mypy] python_version = 3.12 -plugins = "numpy.typing.mypy_plugin" warn_unused_configs = true # would be nice to flip back to true warn_unused_ignores = false From b361ab81a8e457c38559db587d445b80494eca84 Mon Sep 17 00:00:00 2001 From: "Matthew W. Thompson" Date: Thu, 14 May 2026 13:40:54 -0500 Subject: [PATCH 2/4] Allow 2.0, 2.1 conda builds do not yet exist --- devtools/conda-envs/openeye.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/devtools/conda-envs/openeye.yaml b/devtools/conda-envs/openeye.yaml index e58923532..dab4818a2 100644 --- a/devtools/conda-envs/openeye.yaml +++ b/devtools/conda-envs/openeye.yaml @@ -39,7 +39,7 @@ dependencies: - qcengine - mdtraj - nglview - - mypy =2.1 + - mypy =2 - typing_extensions - pip: - types-setuptools From 5dfb0c65cfc7200f0f3b26fcb3803382315d248e Mon Sep 17 00:00:00 2001 From: "Matthew W. Thompson" Date: Thu, 14 May 2026 13:46:40 -0500 Subject: [PATCH 3/4] Just use PyPI --- devtools/conda-envs/openeye.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/devtools/conda-envs/openeye.yaml b/devtools/conda-envs/openeye.yaml index dab4818a2..279507760 100644 --- a/devtools/conda-envs/openeye.yaml +++ b/devtools/conda-envs/openeye.yaml @@ -39,9 +39,9 @@ dependencies: - qcengine - mdtraj - nglview - - mypy =2 - typing_extensions - pip: + - mypy =2 - types-setuptools - types-toml - types-PyYAML From b17860b8311c7e58ef52c0c9d9cdd1ef72fb7b8f Mon Sep 17 00:00:00 2001 From: "Matthew W. Thompson" Date: Thu, 14 May 2026 13:50:51 -0500 Subject: [PATCH 4/4] Syntax --- devtools/conda-envs/openeye.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/devtools/conda-envs/openeye.yaml b/devtools/conda-envs/openeye.yaml index 279507760..0b932829e 100644 --- a/devtools/conda-envs/openeye.yaml +++ b/devtools/conda-envs/openeye.yaml @@ -41,7 +41,7 @@ dependencies: - nglview - typing_extensions - pip: - - mypy =2 + - mypy ==2 - types-setuptools - types-toml - types-PyYAML