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[submit_mdt_analyses.py]: Correct Doc for --mdt-path
Correct the documentation of the `--mdt-path` option.
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analysis/lintf2_ether/mdt/submit_mdt_analyses_lintf2_ether.py

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@@ -162,7 +162,7 @@
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\--zmin and \--zmax are ignored.
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Python-Specific Options
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^^^^^^^^^^^^^^^^^^^^^^^^
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^^^^^^^^^^^^^^^^^^^^^^^
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--py-lmod
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If running on a cluster which uses the |Lmod| module system,
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specify here which file to source (relative to the :file:`lmod`
@@ -173,8 +173,16 @@
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the python executable of the |virtual_Python_environment| in which
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MDTools is installed. Default: ``'python3'``.
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--mdt-path
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Path to the MDTools installation. Default:
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``'${HOME}/.local/lib/python3.9/site-packages/mdtools'``.
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Path to the *cloned* MDTools repository. Note that you really need
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to clone MDTools
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(:bash:`git clone https://github.com/andthum/mdtools.git`) and
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install MDTools from the clone repository. For the last step refer
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to MDTools' `documentation
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<https://mdtools.readthedocs.io/en/latest/doc_pages/general_docs/installation.html>`_.
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The reason for this is that the Slurm job scripts (that are launched
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by this Python submit script) use the path to MDTools'
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:file:`scripts/` directory to call the MDTools scripts. Default:
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``'${HOME}/git/github/mdtools'``.
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Sbatch Options
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^^^^^^^^^^^^^^
@@ -857,8 +865,8 @@ def _submit(sbatch_opts, job_script):
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"--mdt-path",
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type=str,
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required=False,
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default="gmx",
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help="Path to the MDTools installation. Default: %(default)s.",
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default="${HOME}/git/github/mdtools",
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help="Path to the cloned MDTools repository. Default: %(default)s.",
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)
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opts = opthandler.get_opts(
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argparser=parser,

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