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[docs] add Python 3.7 as supported on MacOs but declare that four tes…
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gph82 committed May 10, 2024
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3 changes: 2 additions & 1 deletion README.rst
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Expand Up @@ -45,7 +45,8 @@ System Requirements
``mdciao`` is developed in GNU/Linux, and CI-tested via `github actions <https://github.com/gph82/mdciao/actions?query=workflow%3A%22Python+package%22>`_ for GNU/Linux and MacOs. Tested python versions are:

* GNU/Linux: 3.7, 3.8, 3.9, 3.10, 3.11
* MacOs: 3.8, 3.9, 3.10, 3.11. Python 3.7 is unofficially supported on MacOs, but there are some segmentation faults (`which wont fix <https://github.com/mdtraj/mdtraj/issues/1574>`_) when using `md.compute_dssp <https://github.com/mdtraj/mdtraj/issues/1473>`_ which make the CI tests fail.
* MacOs: 3.7, 3.8, 3.9, 3.10, 3.11. For Python 3.7, four CI-tests involving `mdtraj.compute_dssp <https://www.mdtraj.org/1.9.8.dev0/api/generated/mdtraj.compute_dssp.html?highlight=dssp#mdtraj.compute_dssp>`_ ,
are skipped because of a hard to repdroduce, random segmentation fault, which apparently wont fix, see here `<https://github.com/mdtraj/mdtraj/issues/1574>`_ and `here <https://github.com/mdtraj/mdtraj/issues/1473>`_.

So everything should work *out of the box* in these conditions.

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7 changes: 2 additions & 5 deletions doc/installation.rst
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Expand Up @@ -101,14 +101,11 @@ Operating systems and Python versions
``mdciao`` is developed in GNU/Linux, and CI-tested via `github actions <https://github.com/gph82/mdciao/actions?query=workflow%3A%22Python+package%22>`_ for GNU/Linux and MacOs. Tested python versions are:

* GNU/Linux: 3.7, 3.8, 3.9, 3.10, 3.11
* MacOs: 3.8, 3.9, 3.10, 3.11. Python 3.7 is unofficially supported on MacOs, but there are some segmentation faults (`which wont fix <https://github.com/mdtraj/mdtraj/issues/1574>`_) when using `md.compute_dssp <https://github.com/mdtraj/mdtraj/issues/1473>`_ which make the CI tests fail.
* MacOs: 3.7, 3.8, 3.9, 3.10, 3.11. For Python 3.7, four CI-tests involving `mdtraj.compute_dssp <https://www.mdtraj.org/1.9.8.dev0/api/generated/mdtraj.compute_dssp.html?highlight=dssp#mdtraj.compute_dssp>`_ ,
are skipped because of a hard to repdroduce, random segmentation fault, which apparently wont fix, see here `<https://github.com/mdtraj/mdtraj/issues/1574>`_ and `here <https://github.com/mdtraj/mdtraj/issues/1473>`_.

So everything should work *out of the box* in these conditions. Please see this warning_ for problems during installation from source.

.. note::
MacOs CI tests sometimes fail with (semi)random segmentation faults, in particular when using mdtraj and compute_dssp, but are in principle sane. (`example of recently passed test <https://github.com/gph82/mdciao/actions/runs/2648833037>`_, `example of recently failed tests <https://github.com/gph82/mdciao/runs/7272124587?check_suite_focus=true>`_). More the details on the segmentation error (139 and 11) when `calling mdtraj.dsssp can be found here <https://github.com/gph82/mdciao/runs/2415051993?check_suite_focus=true>`_.


Python interpreter and environment
----------------------------------
`conda <https://docs.conda.io/en/latest/>`_ and `pip <https://pypi.org/project/pip/>`_ are very popular, user friendly package managers. **A very nice feature** of `conda` is that it installs its own ``python`` interpreter, separate from the system's Python. It does so in the user's home directory, s.t. no root privileges are needed at any moment.
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