From ea8ab179e59194e862415b1c342adb9838756d73 Mon Sep 17 00:00:00 2001 From: Lars Pastewka Date: Thu, 4 Jan 2024 11:12:54 +0100 Subject: [PATCH] MAINT: Replace deprecated distutils.version --- matscipy/io/opls.py | 6 +++--- pyproject.toml | 1 + tests/test_c2d.py | 2 +- 3 files changed, 5 insertions(+), 4 deletions(-) diff --git a/matscipy/io/opls.py b/matscipy/io/opls.py index 71a9cbba..5dabd6f7 100644 --- a/matscipy/io/opls.py +++ b/matscipy/io/opls.py @@ -21,9 +21,9 @@ import time import copy -import sys import re -import distutils.version + +from looseversion import LooseVersion import numpy as np import ase @@ -359,7 +359,7 @@ def write_lammps_atoms(prefix, atoms, units='metal'): fileobj.write('%d dihedral types\n' % (len(dtypes))) # cell - if distutils.version.LooseVersion(ase_version_str) > distutils.version.LooseVersion('3.11.0'): + if LooseVersion(ase_version_str) > LooseVersion('3.11.0'): p = ase.calculators.lammpsrun.Prism(atoms.get_cell()) else: p = ase.calculators.lammpsrun.prism(atoms.get_cell()) diff --git a/pyproject.toml b/pyproject.toml index 8e073428..bb90c4f9 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -21,6 +21,7 @@ dependencies = [ "numpy>=1.16.0", "scipy>=1.2.3", "ase>=3.16.0", + "looseversion" ] [project.optional-dependencies] diff --git a/tests/test_c2d.py b/tests/test_c2d.py index e09d6550..63eab896 100644 --- a/tests/test_c2d.py +++ b/tests/test_c2d.py @@ -29,7 +29,7 @@ import tempfile import unittest -from distutils.version import LooseVersion +from looseversion import LooseVersion class c2dCliTest(matscipytest.MatSciPyTestCase): """Tests c2d and pnp command line interfaces"""