Becksteinlab / GromacsWrapper

GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).

Home Page:https://gromacswrapper.readthedocs.org

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some tests fail with "FileNotFoundError: [Errno 2] No such file or directory: '/home/travis/miniconda/envs/test/bin.AVX2_256'"

orbeckst opened this issue · comments

Some tests

  • Linux 3.6, 4.6.5
  • Linux 3.6, 2019
  • Linux 3.7, 2019
  • macOS 3.6, 4.6.5
  • macOS 3.6, 2019

fail with FileNotFoundError: [Errno 2] No such file or directory: '/home/travis/miniconda/envs/test/bin.AVX2_256' similar to the following

tests/test_core.py:14: in <module>

    import gromacs

gromacs/__init__.py:249: in <module>

    from . import tools

gromacs/tools.py:377: in <module>

    registry = load_v5_tools()

gromacs/tools.py:266: in load_v5_tools

    drivers = find_executables(os.environ['GMXBIN'])

gromacs/tools.py:242: in find_executables

    for exe in os.listdir(path):

E   FileNotFoundError: [Errno 2] No such file or directory: '/home/travis/miniconda/envs/test/bin.AVX2_256'

Locally, these tests passed with macOS 3.6, 2019.2.

Seems to have solved itself with solving issue #200