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Hitting this issue in CI:
FAILED openmmtools/tests/test_testsystems.py::test_properties_all_testsystems - TypeError: Could not parse Amber ASCII restart file /home/runner/micromamba/envs/openmmtools-test/lib/python3.10/site-packages/openmmtools/data/dhfr/JAC.inpcrd
But the actual issue is from openmm:
def __init__(self, filename, asNumpy=False):
try:
> from scipy.io import NetCDFFile
E ImportError: cannot import name 'NetCDFFile' from 'scipy.io' (/home/runner/micromamba/envs/openmmtools-test/lib/python3.10/site-packages/scipy/io/__init__.py)
../../../micromamba/envs/openmmtools-test/lib/python3.10/site-packages/openmm/app/internal/amber_file_parser.py:1440: ImportError
It has been fixed:
openmm/openmm#4601
But the conda-forge recipe needs to be updated
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