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Skip failing openmm 8 tests (#1186)
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* skip some tests when running openmm 8

* forgot to add import

* forgot to import os

* need to skip dev as well
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mikemhenry authored Apr 25, 2023
1 parent e1d303c commit 6730065
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Showing 2 changed files with 6 additions and 2 deletions.
3 changes: 2 additions & 1 deletion perses/tests/test_relative.py
Original file line number Diff line number Diff line change
Expand Up @@ -1018,7 +1018,7 @@ def run_RESTCapableHybridTopologyFactory_energies(test_name, phase, use_point_en
else:
for endstate in [0, 1]:
validate_endstate_energies_md(htf, endstate=endstate, n_steps=10, save_freq=1)

@pytest.mark.skipif(os.getenv("OPENMM", default="7.7").upper() in ["8.0", "DEV"], reason="FastMath is BadMath")
def test_RESTCapableHybridTopologyFactory_energies():
"""
Uses run_RESTCapableHybridTopologyFactory_energies() to run energy validation for RESTCapableHybridTopologyFactory
Expand Down Expand Up @@ -1189,6 +1189,7 @@ def concatenate_files(input_files, output_file):
if use_md_energies:
validate_unsampled_endstates_md(htf, unsampled_endstates[endstate].system, endstate, n_steps=10, save_freq=1)

@pytest.mark.skipif(os.getenv("OPENMM", default="7.7").upper() in ["8.0", "DEV"], reason="FastMath is BadMath")
def test_unsampled_endstate_energies():
"""
Uses run_unsampled_endstate_energies() to run energy validation for the unsampled endstates generated for
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5 changes: 4 additions & 1 deletion perses/tests/test_relative_point_mutation_setup.py
Original file line number Diff line number Diff line change
@@ -1,3 +1,6 @@
import pytest
import os

def test_PointMutationExecutor():
"""
Check that a PointMutationExecutor can be instantiated properly for ALA->ASP dipeptide in solvent and that a
Expand Down Expand Up @@ -28,7 +31,7 @@ def test_PointMutationExecutor():
assert len(solvent_atoms.intersection(htf._atom_classes['core_atoms'])) != 0, "There are no water atoms in the core atom " \
"class, which may mean that the counterion was not introduced"


@pytest.mark.skipif(os.getenv("OPENMM", default="7.7").upper() in ["8.0", "DEV"], reason="FastMath is BadMath")
def test_PointMutationExecutor_endstate_validation():
"""
Check that HybridTopologyFactory, RepartitionedHybridTopologyFactory, and RESTCapableHybridTopologyFactory objects
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