From c8553849ee2ce2e782ef39b41a5441951735e76c Mon Sep 17 00:00:00 2001 From: Alvin Noe Ladines Date: Thu, 30 Oct 2025 15:05:15 +0100 Subject: [PATCH 1/2] Remove pytest constraint --- pyproject.toml | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index b2947c3..7055ba8 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -27,10 +27,10 @@ dev-dependencies = [ "nomad-normalizer-plugin-bandstructure>=1.0.3", "nomad-normalizer-plugin-system>=1.0.3", 'mypy>=1.15', - 'pytest>= 5.3.0, <8', - 'pytest-timeout>=1.4.2', - 'pytest-cov>=2.7.1', - 'ruff>=0.6', + 'pytest', + 'pytest-timeout', + 'pytest-cov', + 'ruff', 'typing-extensions>=4.12', ] From 7f145a8a4e5faacd33deafa2bbeca81c8df7ed91 Mon Sep 17 00:00:00 2001 From: Alvin Noe Ladines Date: Thu, 30 Oct 2025 15:11:37 +0100 Subject: [PATCH 2/2] Ignore linting --- simulationworkflowschema/__init__.py | 4 ++-- simulationworkflowschema/thermodynamics.py | 4 ++-- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/simulationworkflowschema/__init__.py b/simulationworkflowschema/__init__.py index fe854e8..92788a7 100644 --- a/simulationworkflowschema/__init__.py +++ b/simulationworkflowschema/__init__.py @@ -94,7 +94,7 @@ def load_modules(): 'photon_polarization', 'thermodynamics', ] - import simulationworkflowschema + import simulationworkflowschema # noqa for name in sub_modules: sub_module = importlib.import_module(f'simulationworkflowschema.{name}') @@ -107,7 +107,7 @@ class SimulationWorkflowSchemaEntryPoint(SchemaPackageEntryPoint): def load(self): load_modules() - from .general import m_package + from .general import m_package # noqa return m_package diff --git a/simulationworkflowschema/thermodynamics.py b/simulationworkflowschema/thermodynamics.py index 699ac15..eedb162 100644 --- a/simulationworkflowschema/thermodynamics.py +++ b/simulationworkflowschema/thermodynamics.py @@ -193,7 +193,7 @@ def heat_capacity_c_v_specific(self) -> Optional[np.ndarray]: """Returns the specific heat capacity by dividing the heat capacity per cell with the mass of the atoms in the cell. """ - import nomad.atomutils + import nomad.atomutils # noqa workflow = self.m_parent if not workflow._systems or not workflow._systems[0].atoms: @@ -226,7 +226,7 @@ def heat_capacity_c_v_specific(self) -> Optional[np.ndarray]: def vibrational_free_energy_at_constant_volume_specific( self, ) -> Optional[np.ndarray]: - import nomad.atomutils + import nomad.atomutils # noqa workflow = self.m_parent if not workflow._systems or not workflow._systems[0].atoms: