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Towards sphinx >= 3 #3438

Merged
merged 16 commits into from
Nov 3, 2021
Merged

Towards sphinx >= 3 #3438

merged 16 commits into from
Nov 3, 2021

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IAlibay
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@IAlibay IAlibay commented Oct 15, 2021

Fixes #3224 #2667

Changes made in this Pull Request:

  • Unpin sphinx in CI

PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

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codecov bot commented Oct 15, 2021

Codecov Report

Merging #3438 (b884324) into develop (6479298) will not change coverage.
The diff coverage is 100.00%.

Impacted file tree graph

@@           Coverage Diff            @@
##           develop    #3438   +/-   ##
========================================
  Coverage    93.77%   93.77%           
========================================
  Files          176      176           
  Lines        23219    23219           
  Branches      3308     3308           
========================================
  Hits         21773    21773           
  Misses        1395     1395           
  Partials        51       51           
Impacted Files Coverage Δ
package/MDAnalysis/analysis/density.py 82.45% <ø> (ø)
package/MDAnalysis/analysis/hole2/hole.py 74.47% <ø> (ø)
package/MDAnalysis/analysis/pca.py 100.00% <ø> (ø)
package/MDAnalysis/coordinates/FHIAIMS.py 95.14% <ø> (ø)
package/MDAnalysis/coordinates/GRO.py 96.64% <ø> (ø)
package/MDAnalysis/coordinates/TRZ.py 89.05% <ø> (ø)
package/MDAnalysis/core/topology.py 100.00% <ø> (ø)
package/MDAnalysis/core/universe.py 97.95% <ø> (ø)
package/MDAnalysis/lib/mdamath.py 100.00% <ø> (ø)
package/MDAnalysis/analysis/encore/similarity.py 91.56% <100.00%> (ø)

Continue to review full report at Codecov.

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@IAlibay
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IAlibay commented Oct 15, 2021

This is 100% duplicate object stuff... I started working on it but it's incredibly tedious work. Best thing we can do here is have folks contribute a few changes at a time until we clear all the warnings.

@IAlibay IAlibay mentioned this pull request Oct 28, 2021
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@orbeckst orbeckst added this to the 2.1.0 milestone Oct 28, 2021
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I am adding micro-commits that need to be squashed. This should make it easier to resolve issues when multiple people contribute.

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pep8speaks commented Oct 28, 2021

Hello @IAlibay! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

Line 1303:80: E501 line too long (85 > 79 characters)
Line 1304:80: E501 line too long (88 > 79 characters)
Line 1310:80: E501 line too long (88 > 79 characters)
Line 1361:80: E501 line too long (85 > 79 characters)
Line 1362:80: E501 line too long (88 > 79 characters)
Line 1368:80: E501 line too long (88 > 79 characters)
Line 1397:80: E501 line too long (85 > 79 characters)
Line 1398:80: E501 line too long (88 > 79 characters)
Line 1404:80: E501 line too long (88 > 79 characters)

Line 582:1: W391 blank line at end of file

Line 293:80: E501 line too long (95 > 79 characters)
Line 294:80: E501 line too long (85 > 79 characters)
Line 295:80: E501 line too long (84 > 79 characters)
Line 297:80: E501 line too long (83 > 79 characters)
Line 299:80: E501 line too long (84 > 79 characters)

Comment last updated at 2021-11-03 00:33:54 UTC

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orbeckst commented Oct 28, 2021

This is what's currently left to do (with sphinx 4.0.2)

  • mdanalysis/package/MDAnalysis/analysis/pca.py:docstring of MDAnalysis.analysis.pca.PCA.transform:1: WARNING: duplicate object description of MDAnalysis.analysis.pca.PCA.transform, other instance in documentation_pages/analysis/pca, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/base.py:docstring of MDAnalysis.coordinates.base.Timestep:1: WARNING: duplicate object description of MDAnalysis.coordinates.base.Timestep, other instance in documentation_pages/coordinates/FHIAIMS, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/base.py:docstring of MDAnalysis.coordinates.base.Timestep:1: WARNING: duplicate object description of MDAnalysis.coordinates.base.Timestep, other instance in documentation_pages/coordinates/GRO, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/base.py:docstring of MDAnalysis.coordinates.TRZ.Timestep.n_atoms:1: WARNING: duplicate object description of MDAnalysis.coordinates.TRZ.Timestep.n_atoms, other instance in documentation_pages/coordinates/TRZ, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/base.py:docstring of MDAnalysis.coordinates.TRZ.Timestep.time:1: WARNING: duplicate object description of MDAnalysis.coordinates.TRZ.Timestep.time, other instance in documentation_pages/coordinates/TRZ, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/TRZ.py:docstring of MDAnalysis.coordinates.TRZ.TRZReader:1: WARNING: duplicate object description of MDAnalysis.coordinates.TRZ.TRZReader, other instance in documentation_pages/coordinates/TRZ, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/TRZ.py:docstring of MDAnalysis.coordinates.TRZ.TRZReader:3: WARNING: duplicate object description of MDAnalysis.coordinates.TRZ.TRZReader.ts, other instance in documentation_pages/coordinates/TRZ, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/TRZ.py:docstring of MDAnalysis.coordinates.TRZ.TRZReader.Writer:1: WARNING: duplicate object description of MDAnalysis.coordinates.TRZ.TRZReader.Writer, other instance in documentation_pages/coordinates/TRZ, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/TRZ.py:docstring of MDAnalysis.coordinates.TRZ.TRZReader.close:1: WARNING: duplicate object description of MDAnalysis.coordinates.TRZ.TRZReader.close, other instance in documentation_pages/coordinates/TRZ, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/TRZ.py:docstring of MDAnalysis.coordinates.TRZ.TRZReader.delta:1: WARNING: duplicate object description of MDAnalysis.coordinates.TRZ.TRZReader.delta, other instance in documentation_pages/coordinates/TRZ, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/TRZ.py:docstring of MDAnalysis.coordinates.TRZ.TRZReader.n_atoms:1: WARNING: duplicate object description of MDAnalysis.coordinates.TRZ.TRZReader.n_atoms, other instance in documentation_pages/coordinates/TRZ, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/TRZ.py:docstring of MDAnalysis.coordinates.TRZ.TRZReader.n_frames:1: WARNING: duplicate object description of MDAnalysis.coordinates.TRZ.TRZReader.n_frames, other instance in documentation_pages/coordinates/TRZ, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/TRZ.py:docstring of MDAnalysis.coordinates.TRZ.TRZReader.open_trajectory:1: WARNING: duplicate object description of MDAnalysis.coordinates.TRZ.TRZReader.open_trajectory, other instance in documentation_pages/coordinates/TRZ, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/TRZ.py:docstring of MDAnalysis.coordinates.TRZ.TRZReader.skip_timestep:1: WARNING: duplicate object description of MDAnalysis.coordinates.TRZ.TRZReader.skip_timestep, other instance in documentation_pages/coordinates/TRZ, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/TRZ.py:docstring of MDAnalysis.coordinates.TRZ.TRZWriter:1: WARNING: duplicate object description of MDAnalysis.coordinates.TRZ.TRZWriter, other instance in documentation_pages/coordinates/TRZ, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/coordinates/TRZ.py:docstring of MDAnalysis.coordinates.TRZ.TRZWriter.close:1: WARNING: duplicate object description of MDAnalysis.coordinates.TRZ.TRZWriter.close, other instance in documentation_pages/coordinates/TRZ, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/core/topology.py:docstring of MDAnalysis.core.topology.TransTable.atoms2residues:1: WARNING: duplicate object description of MDAnalysis.core.topology.TransTable.atoms2residues, other instance in documentation_pages/core/topology, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/core/topology.py:docstring of MDAnalysis.core.topology.TransTable.atoms2segments:1: WARNING: duplicate object description of MDAnalysis.core.topology.TransTable.atoms2segments, other instance in documentation_pages/core/topology, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/core/topology.py:docstring of MDAnalysis.core.topology.TransTable.residues2atoms_1d:1: WARNING: duplicate object description of MDAnalysis.core.topology.TransTable.residues2atoms_1d, other instance in documentation_pages/core/topology, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/core/topology.py:docstring of MDAnalysis.core.topology.TransTable.residues2atoms_2d:1: WARNING: duplicate object description of MDAnalysis.core.topology.TransTable.residues2atoms_2d, other instance in documentation_pages/core/topology, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/core/topology.py:docstring of MDAnalysis.core.topology.TransTable.residues2segments:1: WARNING: duplicate object description of MDAnalysis.core.topology.TransTable.residues2segments, other instance in documentation_pages/core/topology, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/core/topology.py:docstring of MDAnalysis.core.topology.TransTable.segments2atoms_1d:1: WARNING: duplicate object description of MDAnalysis.core.topology.TransTable.segments2atoms_1d, other instance in documentation_pages/core/topology, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/core/topology.py:docstring of MDAnalysis.core.topology.TransTable.segments2atoms_2d:1: WARNING: duplicate object description of MDAnalysis.core.topology.TransTable.segments2atoms_2d, other instance in documentation_pages/core/topology, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/core/topology.py:docstring of MDAnalysis.core.topology.TransTable.segments2residues_1d:1: WARNING: duplicate object description of MDAnalysis.core.topology.TransTable.segments2residues_1d, other instance in documentation_pages/core/topology, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/core/topology.py:docstring of MDAnalysis.core.topology.TransTable.segments2residues_2d:1: WARNING: duplicate object description of MDAnalysis.core.topology.TransTable.segments2residues_2d, other instance in documentation_pages/core/topology, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/core/topology.py:docstring of MDAnalysis.core.topology.TransTable.size:1: WARNING: duplicate object description of MDAnalysis.core.topology.TransTable.size, other instance in documentation_pages/core/topology, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/core/universe.py:docstring of MDAnalysis.core.universe.Universe.dimensions:1: WARNING: duplicate object description of MDAnalysis.core.universe.Universe.dimensions, other instance in documentation_pages/core/universe, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/core/universe.py:docstring of MDAnalysis.core.universe.Universe.trajectory:1: WARNING: duplicate object description of MDAnalysis.core.universe.Universe.trajectory, other instance in documentation_pages/core/universe, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/lib/mdamath.py:docstring of MDAnalysis.lib.mdamath.angle:1: WARNING: duplicate object description of MDAnalysis.lib.mdamath.angle, other instance in documentation_pages/lib/mdamath, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/lib/mdamath.py:docstring of MDAnalysis.lib.mdamath.box_volume:1: WARNING: duplicate object description of MDAnalysis.lib.mdamath.box_volume, other instance in documentation_pages/lib/mdamath, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/lib/mdamath.py:docstring of MDAnalysis.lib.mdamath.dihedral:1: WARNING: duplicate object description of MDAnalysis.lib.mdamath.dihedral, other instance in documentation_pages/lib/mdamath, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/lib/mdamath.py:docstring of MDAnalysis.lib.mdamath.norm:1: WARNING: duplicate object description of MDAnalysis.lib.mdamath.norm, other instance in documentation_pages/lib/mdamath, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/lib/mdamath.py:docstring of MDAnalysis.lib.mdamath.normal:1: WARNING: duplicate object description of MDAnalysis.lib.mdamath.normal, other instance in documentation_pages/lib/mdamath, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/lib/mdamath.py:docstring of MDAnalysis.lib.mdamath.sarrus_det:1: WARNING: duplicate object description of MDAnalysis.lib.mdamath.sarrus_det, other instance in documentation_pages/lib/mdamath, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/lib/mdamath.py:docstring of MDAnalysis.lib.mdamath.stp:1: WARNING: duplicate object description of MDAnalysis.lib.mdamath.stp, other instance in documentation_pages/lib/mdamath, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/lib/mdamath.py:docstring of MDAnalysis.lib.mdamath.triclinic_box:1: WARNING: duplicate object description of MDAnalysis.lib.mdamath.triclinic_box, other instance in documentation_pages/lib/mdamath, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/lib/mdamath.py:docstring of MDAnalysis.lib.mdamath.triclinic_vectors:1: WARNING: duplicate object description of MDAnalysis.lib.mdamath.triclinic_vectors, other instance in documentation_pages/lib/mdamath, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/charmm.py:docstring of MDAnalysis.selections.charmm.SelectionWriter:1: WARNING: duplicate object description of MDAnalysis.selections.charmm.SelectionWriter, other instance in documentation_pages/selections/charmm, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/charmm.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.close:1: WARNING: duplicate object description of MDAnalysis.selections.charmm.SelectionWriter.close, other instance in documentation_pages/selections/charmm, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/charmm.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.comment:1: WARNING: duplicate object description of MDAnalysis.selections.charmm.SelectionWriter.comment, other instance in documentation_pages/selections/charmm, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/charmm.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.write:1: WARNING: duplicate object description of MDAnalysis.selections.charmm.SelectionWriter.write, other instance in documentation_pages/selections/charmm, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/charmm.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.write_preamble:1: WARNING: duplicate object description of MDAnalysis.selections.charmm.SelectionWriter.write_preamble, other instance in documentation_pages/selections/charmm, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/gromacs.py:docstring of MDAnalysis.selections.gromacs.SelectionWriter:1: WARNING: duplicate object description of MDAnalysis.selections.gromacs.SelectionWriter, other instance in documentation_pages/selections/gromacs, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/gromacs.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.close:1: WARNING: duplicate object description of MDAnalysis.selections.gromacs.SelectionWriter.close, other instance in documentation_pages/selections/gromacs, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/gromacs.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.comment:1: WARNING: duplicate object description of MDAnalysis.selections.gromacs.SelectionWriter.comment, other instance in documentation_pages/selections/gromacs, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/gromacs.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.write:1: WARNING: duplicate object description of MDAnalysis.selections.gromacs.SelectionWriter.write, other instance in documentation_pages/selections/gromacs, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/gromacs.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.write_preamble:1: WARNING: duplicate object description of MDAnalysis.selections.gromacs.SelectionWriter.write_preamble, other instance in documentation_pages/selections/gromacs, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/jmol.py:docstring of MDAnalysis.selections.jmol.SelectionWriter:1: WARNING: duplicate object description of MDAnalysis.selections.jmol.SelectionWriter, other instance in documentation_pages/selections/jmol, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/jmol.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.close:1: WARNING: duplicate object description of MDAnalysis.selections.jmol.SelectionWriter.close, other instance in documentation_pages/selections/jmol, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/jmol.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.comment:1: WARNING: duplicate object description of MDAnalysis.selections.jmol.SelectionWriter.comment, other instance in documentation_pages/selections/jmol, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/jmol.py:docstring of MDAnalysis.selections.jmol.SelectionWriter.default_numterms:1: WARNING: duplicate object description of MDAnalysis.selections.jmol.SelectionWriter.default_numterms, other instance in documentation_pages/selections/jmol, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/jmol.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.write:1: WARNING: duplicate object description of MDAnalysis.selections.jmol.SelectionWriter.write, other instance in documentation_pages/selections/jmol, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/jmol.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.write_preamble:1: WARNING: duplicate object description of MDAnalysis.selections.jmol.SelectionWriter.write_preamble, other instance in documentation_pages/selections/jmol, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/pymol.py:docstring of MDAnalysis.selections.pymol.SelectionWriter:1: WARNING: duplicate object description of MDAnalysis.selections.pymol.SelectionWriter, other instance in documentation_pages/selections/pymol, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/pymol.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.close:1: WARNING: duplicate object description of MDAnalysis.selections.pymol.SelectionWriter.close, other instance in documentation_pages/selections/pymol, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/pymol.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.comment:1: WARNING: duplicate object description of MDAnalysis.selections.pymol.SelectionWriter.comment, other instance in documentation_pages/selections/pymol, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/pymol.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.write:1: WARNING: duplicate object description of MDAnalysis.selections.pymol.SelectionWriter.write, other instance in documentation_pages/selections/pymol, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/pymol.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.write_preamble:1: WARNING: duplicate object description of MDAnalysis.selections.pymol.SelectionWriter.write_preamble, other instance in documentation_pages/selections/pymol, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/vmd.py:docstring of MDAnalysis.selections.vmd.SelectionWriter:1: WARNING: duplicate object description of MDAnalysis.selections.vmd.SelectionWriter, other instance in documentation_pages/selections/vmd, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/vmd.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.close:1: WARNING: duplicate object description of MDAnalysis.selections.vmd.SelectionWriter.close, other instance in documentation_pages/selections/vmd, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/vmd.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.comment:1: WARNING: duplicate object description of MDAnalysis.selections.vmd.SelectionWriter.comment, other instance in documentation_pages/selections/vmd, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/vmd.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.write:1: WARNING: duplicate object description of MDAnalysis.selections.vmd.SelectionWriter.write, other instance in documentation_pages/selections/vmd, use :noindex: for one of them
  • mdanalysis/package/MDAnalysis/selections/vmd.py:docstring of MDAnalysis.selections.base.SelectionWriterBase.write_preamble:1: WARNING: duplicate object description of MDAnalysis.selections.vmd.SelectionWriter.write_preamble, other instance in documentation_pages/selections/vmd, use :noindex: for one of them

- only explicitly include TRZReader and TRZWriter
- explicitly reference base.Timestep as type
- fix sphinx duplicate indexing complaints by using the explicit attribute
  docs and using :meta private: for property docs
- update return types for methods
- reorganized main Universe doc string to conform to numpydoc
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orbeckst commented Nov 2, 2021

Note that one common problem is that we document a managed attribute (property) both in the main doc string under Attributes and in the doc string of the property. I opted to

  • retain the explicit doc string (and expand if necessary, using information from the property)
  • make the property doc string private using an autodoc hack by embedding :meta private: in the property docs info fields list. This seems to be the only way to exclude an autodocced docstring.

I chose the explicit attr description because these tend to be important attributes that should be listed together instead of spread across. By keeping the explicit docs, the interactive doc string is also more readable.

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orbeckst commented Nov 2, 2021

Locally with sphinx 4.2 I have no more warnings and the build succeeds without erroring.

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Thanks for doing the work to fix the errors, @IAlibay @richardjgowers @orbeckst. Docs are building (https://mdanalysis--3438.org.readthedocs.build/en/3438/documentation_pages/core/universe.html#MDAnalysis.core.universe.Universe.angles) and look good so I'll approve -- just curious about the use of meta private and whether it's needed.

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Woo, we defeated the sphinx!

@lilyminium lilyminium merged commit 0fd933d into develop Nov 3, 2021
@lilyminium lilyminium deleted the sphinx-3 branch November 3, 2021 15:03
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Update docs to be sphinx 3+ compatible
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