From 4ac3495ee08e78f057902cb7d8cb44e2f1c1c1a2 Mon Sep 17 00:00:00 2001 From: Oliver Beckstein Date: Mon, 4 Sep 2023 21:42:33 -0400 Subject: [PATCH] xfail specific tests (#236) --- tests/fileformats/top/test_amber03star.py | 8 ++++++-- tests/fileformats/top/test_amber03w.py | 7 +++++-- 2 files changed, 11 insertions(+), 4 deletions(-) diff --git a/tests/fileformats/top/test_amber03star.py b/tests/fileformats/top/test_amber03star.py index 238deabc..13e74f63 100644 --- a/tests/fileformats/top/test_amber03star.py +++ b/tests/fileformats/top/test_amber03star.py @@ -12,9 +12,13 @@ from .top import TopologyTest 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') molecules = ['Protein', 'SOL', 'IB+', 'CA', 'CL', 'NA', 'MG', 'K', 'RB', 'CS', '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(self, TestAmber03star).test_mdrun(tmpdir, low_performance) + diff --git a/tests/fileformats/top/test_amber03w.py b/tests/fileformats/top/test_amber03w.py index 36ce4286..c7f1d84b 100644 --- a/tests/fileformats/top/test_amber03w.py +++ b/tests/fileformats/top/test_amber03w.py @@ -12,9 +12,12 @@ from .top import TopologyTest 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') molecules = ['Protein_chain_A', 'SOL', 'IB+', 'CA', 'CL', 'NA', 'MG', 'K', 'RB', 'CS', '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(self, TestAmber03w).test_mdrun(tmpdir, low_performance)