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xfail specific tests (#236)
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orbeckst committed Sep 14, 2023
1 parent 4613e3d commit c408802
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Showing 2 changed files with 11 additions and 4 deletions.
8 changes: 6 additions & 2 deletions tests/fileformats/top/test_amber03star.py
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Expand Up @@ -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(TestAmber03star, self).test_mdrun(tmpdir, low_performance)

7 changes: 5 additions & 2 deletions tests/fileformats/top/test_amber03w.py
Original file line number Diff line number Diff line change
Expand Up @@ -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(TestAmber03w, self).test_mdrun(tmpdir, low_performance)

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