diff --git a/tests/fileformats/top/test_amber03star.py b/tests/fileformats/top/test_amber03star.py index 7e52d86f..26020a6f 100644 --- a/tests/fileformats/top/test_amber03star.py +++ b/tests/fileformats/top/test_amber03star.py @@ -13,10 +13,6 @@ from ...datafiles import datafile -@pytest.mark.xfail( - gromacs.release().startswith("2022"), - reason="issue https://github.com/Becksteinlab/GromacsWrapper/issues/236", -) class TestAmber03star(TopologyTest): processed = datafile("fileformats/top/amber03star/processed.top") conf = datafile("fileformats/top/amber03star/conf.gro") @@ -34,3 +30,9 @@ class TestAmber03star(TopologyTest): "LI", "ZN", ] + + @pytest.mark.xfail(gromacs.release().startswith(("2022", "2023")), + reason="issue #236 https://github.com/Becksteinlab/GromacsWrapper/issues/236") + def test_mdrun(self, tmpdir, low_performance): + super(TestAmber03star, self).test_mdrun(tmpdir, low_performance) + diff --git a/tests/fileformats/top/test_amber03w.py b/tests/fileformats/top/test_amber03w.py index 93effe6f..964bdfeb 100644 --- a/tests/fileformats/top/test_amber03w.py +++ b/tests/fileformats/top/test_amber03w.py @@ -13,10 +13,6 @@ from ...datafiles import datafile -@pytest.mark.xfail( - gromacs.release().startswith("2022"), - reason="issue https://github.com/Becksteinlab/GromacsWrapper/issues/236", -) class TestAmber03w(TopologyTest): processed = datafile("fileformats/top/amber03w/processed.top") conf = datafile("fileformats/top/amber03w/conf.gro") @@ -34,3 +30,9 @@ class TestAmber03w(TopologyTest): "LI", "ZN", ] + + @pytest.mark.xfail(gromacs.release().startswith(("2022", "2023")), + reason="issue #236 https://github.com/Becksteinlab/GromacsWrapper/issues/236") + def test_mdrun(self, tmpdir, low_performance): + super(TestAmber03w, self).test_mdrun(tmpdir, low_performance) + diff --git a/tests/fileformats/top/top.py b/tests/fileformats/top/top.py index 4eef987e..2b128912 100644 --- a/tests/fileformats/top/top.py +++ b/tests/fileformats/top/top.py @@ -10,7 +10,12 @@ import numpy as np from numpy.testing import assert_array_equal -from pandas.util.testing import assert_frame_equal + +try: + from pandas.testing import assert_frame_equal +except ImportError: + # old versions of pandas + from pandas.util.testing import assert_frame_equal import pytest