Oliver Beckstein

[FEATURE] register lipyphilic as an MDAKit

1

Hi @p-j-smith , the MDAKits registry https://mdakits.mdanalysis.org/ is operational and it would be great to have your package in there. I am pretty sure *lipyphilic* fulfills all requirements (tests, docs,...

Since #85, datreant is on conda-forge but the docs do not mention it. They still point to a datreant channel or nothing.

Treant.categories() refuses to take categories as input and insists on dict

5

I want to copy categories from one treant to another: ``` python import datreant.core as dtr jack = dtr.Treant('jack') jack.categories.add(type="person", disposition="frosty") jill = dtr.Treant('jill') jill.categories.add(jack.categories) ``` raises ``` --------------------------------------------------------------------------- TypeError...

make a 1.0 release?

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The docs still state that this is alpha software but I think in truth it has been in stable use for more than a year. Isn't it time to slap...

codecov coverage dropped to 0%

2

The codecov coverage for PRs shows 0% and the total coverage for main is also 0% even though it should be around 69%. I recently updated [.codecov.yml](https://github.com/Becksteinlab/GromacsWrapper/blob/main/.codecov.yml) to point to...

no console scripts installed in 0.9.0

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The `gw-*.py` scripts are not installed in the bin directory. With the switch to pyproject.toml #278 and modern versions of setuptools, we cannot use ```toml [tool.setuptools] scripts = [ "scripts/gw-join_parts.py",...

Release 2.3.0 (see PR #360 for last changes) - [x] GitHub - [x] PyPi - [x] conda-forge - [ ] announcement in https://github.com/alchemistry/alchemlyb/discussions/categories/announcements and twitter etc

update develop installation instructions

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- fix #368 (outdated develop installation instruction) - fix #361 (recommend mamba) ---- 📚 Documentation preview 📚: https://mdanalysisuserguide--370.org.readthedocs.build/en/370/

Develop installation instructions are outdated

15

**Describe the bug** Instructions for installing from source (ie the develop branch) are not up to date. https://userguide.mdanalysis.org/stable/contributing_code.html This makes it difficult to on board developers or use the develop...

duplicate labels

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CI shows errors related to duplicate labels ``` /home/runner/work/UserGuide/UserGuide/doc/source/examples/analysis/trajectory_similarity/README.rst:6: WARNING: duplicate label trajectory-similarity, other instance in /home/runner/work/UserGuide/UserGuide/doc/source/examples/analysis/README.rst /home/runner/work/UserGuide/UserGuide/doc/source/formats/coordinates.rst:4: WARNING: duplicate label coordinate-readers, other instance in /home/runner/work/UserGuide/UserGuide/doc/source/formats/coordinates.rst ```