diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 024238f..a9b6dc2 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -3,7 +3,7 @@ ci: repos: - repo: https://github.com/pre-commit/pre-commit-hooks - rev: v5.0.0 + rev: v6.0.0 hooks: - id: check-added-large-files - id: check-merge-conflict @@ -12,16 +12,16 @@ repos: - id: mixed-line-ending - id: trailing-whitespace - repo: https://github.com/pre-commit/mirrors-clang-format - rev: v20.1.7 + rev: v21.1.2 hooks: - id: clang-format types_or: [c, c++] - repo: https://github.com/PyCQA/isort - rev: 6.0.1 + rev: 6.1.0 hooks: - id: isort - repo: https://github.com/psf/black-pre-commit-mirror - rev: 25.1.0 + rev: 25.9.0 hooks: - id: black - repo: https://github.com/PyCQA/flake8 diff --git a/python/tests/conftest.py b/python/tests/conftest.py index 04d65ed..4adb701 100644 --- a/python/tests/conftest.py +++ b/python/tests/conftest.py @@ -1,8 +1,7 @@ +import flyft import pytest from pytest_lazy_fixtures import lf as lazy_fixture -import flyft - @pytest.fixture def ig(): diff --git a/python/tests/test_boublik_hard_sphere.py b/python/tests/test_boublik_hard_sphere.py index 0b7c3cb..98c4463 100644 --- a/python/tests/test_boublik_hard_sphere.py +++ b/python/tests/test_boublik_hard_sphere.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - def fex_cs(eta, d): """Carnahan-Starling free-energy density of hard spheres""" diff --git a/python/tests/test_brownian_diffusive_flux.py b/python/tests/test_brownian_diffusive_flux.py index f7099c1..e55ad57 100644 --- a/python/tests/test_brownian_diffusive_flux.py +++ b/python/tests/test_brownian_diffusive_flux.py @@ -1,9 +1,8 @@ +import flyft import numpy as np import pytest from pytest_lazy_fixtures import lf as lazy_fixture -import flyft - @pytest.fixture def cartesian_mesh_grand(): diff --git a/python/tests/test_composite_external_potential.py b/python/tests/test_composite_external_potential.py index 9515921..e075944 100644 --- a/python/tests/test_composite_external_potential.py +++ b/python/tests/test_composite_external_potential.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - @pytest.fixture def comp(): diff --git a/python/tests/test_composite_flux.py b/python/tests/test_composite_flux.py index f1785eb..b92b7d0 100644 --- a/python/tests/test_composite_flux.py +++ b/python/tests/test_composite_flux.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - @pytest.fixture def comp(): diff --git a/python/tests/test_composite_functional.py b/python/tests/test_composite_functional.py index ebd37f6..ec070a1 100644 --- a/python/tests/test_composite_functional.py +++ b/python/tests/test_composite_functional.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - @pytest.fixture def comp(): diff --git a/python/tests/test_crank_nicolson_integrator.py b/python/tests/test_crank_nicolson_integrator.py index dfcba14..2a9153f 100644 --- a/python/tests/test_crank_nicolson_integrator.py +++ b/python/tests/test_crank_nicolson_integrator.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - @pytest.fixture def cn(): diff --git a/python/tests/test_explicit_euler_integrator.py b/python/tests/test_explicit_euler_integrator.py index 2889542..1e0e3e6 100644 --- a/python/tests/test_explicit_euler_integrator.py +++ b/python/tests/test_explicit_euler_integrator.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - @pytest.fixture def euler(): diff --git a/python/tests/test_exponential_wall_potential.py b/python/tests/test_exponential_wall_potential.py index 5da332b..18573b1 100644 --- a/python/tests/test_exponential_wall_potential.py +++ b/python/tests/test_exponential_wall_potential.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - @pytest.fixture def ew(): diff --git a/python/tests/test_external_field.py b/python/tests/test_external_field.py index b07c5d0..f896a48 100644 --- a/python/tests/test_external_field.py +++ b/python/tests/test_external_field.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - @pytest.fixture def spherical_mesh_grand(): diff --git a/python/tests/test_field.py b/python/tests/test_field.py index 2409aff..c7f3d78 100644 --- a/python/tests/test_field.py +++ b/python/tests/test_field.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - @pytest.fixture def field(): diff --git a/python/tests/test_grand_potential.py b/python/tests/test_grand_potential.py index 768cd2c..bbf9897 100644 --- a/python/tests/test_grand_potential.py +++ b/python/tests/test_grand_potential.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - from .test_ideal_gas import f_ig, mu_ig from .test_rosenfeld_fmt import fex_py, muex_py diff --git a/python/tests/test_hard_wall_potential.py b/python/tests/test_hard_wall_potential.py index 697d82e..5730945 100644 --- a/python/tests/test_hard_wall_potential.py +++ b/python/tests/test_hard_wall_potential.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - @pytest.fixture def hw(): diff --git a/python/tests/test_harmonic_wall_potential.py b/python/tests/test_harmonic_wall_potential.py index 7d6dbd2..a700c2a 100644 --- a/python/tests/test_harmonic_wall_potential.py +++ b/python/tests/test_harmonic_wall_potential.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - @pytest.fixture def hw(): diff --git a/python/tests/test_implicit_euler_integrator.py b/python/tests/test_implicit_euler_integrator.py index aa39865..dc7bc7e 100644 --- a/python/tests/test_implicit_euler_integrator.py +++ b/python/tests/test_implicit_euler_integrator.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - @pytest.fixture def euler(): diff --git a/python/tests/test_lennard_jones_93_wall_potential.py b/python/tests/test_lennard_jones_93_wall_potential.py index efa5692..ca70f83 100644 --- a/python/tests/test_lennard_jones_93_wall_potential.py +++ b/python/tests/test_lennard_jones_93_wall_potential.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - @pytest.fixture def lj(): diff --git a/python/tests/test_mirror.py b/python/tests/test_mirror.py index f721114..1828282 100644 --- a/python/tests/test_mirror.py +++ b/python/tests/test_mirror.py @@ -1,6 +1,5 @@ -import pytest - import flyft.mirror +import pytest class _A: diff --git a/python/tests/test_parameter.py b/python/tests/test_parameter.py index 82631cc..3e91ea5 100644 --- a/python/tests/test_parameter.py +++ b/python/tests/test_parameter.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - class TimeParameter(flyft.CustomParameter): def __call__(self, state): diff --git a/python/tests/test_picard_iteration.py b/python/tests/test_picard_iteration.py index 5bc1cf5..b5ad3de 100644 --- a/python/tests/test_picard_iteration.py +++ b/python/tests/test_picard_iteration.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - from .test_ideal_gas import mu_ig from .test_rosenfeld_fmt import muex_py diff --git a/python/tests/test_rpy_diffusive_flux.py b/python/tests/test_rpy_diffusive_flux.py index 71d4524..89e433c 100644 --- a/python/tests/test_rpy_diffusive_flux.py +++ b/python/tests/test_rpy_diffusive_flux.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - @pytest.fixture def spherical_mesh_grand(): diff --git a/python/tests/test_state.py b/python/tests/test_state.py index 24924a6..a1aed37 100644 --- a/python/tests/test_state.py +++ b/python/tests/test_state.py @@ -1,6 +1,5 @@ -import pytest - import flyft +import pytest def test_init(state): diff --git a/python/tests/test_virial_expansion.py b/python/tests/test_virial_expansion.py index 4b5d0e1..3464b95 100644 --- a/python/tests/test_virial_expansion.py +++ b/python/tests/test_virial_expansion.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - def f_ex(B, rho): """Excess free-energy density of virial expansion""" diff --git a/python/tests/test_white_bear.py b/python/tests/test_white_bear.py index 2924ae2..6ef571b 100644 --- a/python/tests/test_white_bear.py +++ b/python/tests/test_white_bear.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - def fex_cs(eta, v): """Carnahan--Starling free-energy density of hard spheres""" diff --git a/python/tests/test_white_bear_mark_ii.py b/python/tests/test_white_bear_mark_ii.py index 73feed1..48ee0ec 100644 --- a/python/tests/test_white_bear_mark_ii.py +++ b/python/tests/test_white_bear_mark_ii.py @@ -1,8 +1,7 @@ +import flyft import numpy as np import pytest -import flyft - def fex_cs(eta, v): """Carnahan--Starling free-energy density of hard spheres""" diff --git a/python/validate/binary_mixture.py b/python/validate/binary_mixture.py index 4cdae6b..28e6620 100644 --- a/python/validate/binary_mixture.py +++ b/python/validate/binary_mixture.py @@ -1,6 +1,5 @@ -import numpy as np - import flyft +import numpy as np L = 50.0 dx = 0.2 diff --git a/python/validate/brownian_diffusion.py b/python/validate/brownian_diffusion.py index 8183677..0fc5d5a 100644 --- a/python/validate/brownian_diffusion.py +++ b/python/validate/brownian_diffusion.py @@ -1,6 +1,5 @@ -import numpy as np - import flyft +import numpy as np L = 10.0 dx = 0.05 diff --git a/python/validate/hard_sphere_evaporation.py b/python/validate/hard_sphere_evaporation.py index af01e9e..be85854 100644 --- a/python/validate/hard_sphere_evaporation.py +++ b/python/validate/hard_sphere_evaporation.py @@ -1,6 +1,5 @@ -import numpy as np - import flyft +import numpy as np L = 10.0 dx = 0.05 diff --git a/python/validate/hard_sphere_slit.py b/python/validate/hard_sphere_slit.py index 73d6fdd..bb2a014 100644 --- a/python/validate/hard_sphere_slit.py +++ b/python/validate/hard_sphere_slit.py @@ -1,6 +1,5 @@ -import numpy as np - import flyft +import numpy as np L = 16.0 diameters = {"A": 1.0} diff --git a/python/validate/stratification.py b/python/validate/stratification.py index a8cdb6f..ee04a00 100644 --- a/python/validate/stratification.py +++ b/python/validate/stratification.py @@ -1,6 +1,5 @@ -import numpy as np - import flyft +import numpy as np L = 38.5 dx = 0.05