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Update packaging & smaller fixes #12

Merged
merged 2 commits into from
Jan 2, 2024
Merged

Update packaging & smaller fixes #12

merged 2 commits into from
Jan 2, 2024

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IAlibay
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@IAlibay IAlibay commented Dec 28, 2023

Fixes #11

Changes made in this Pull Request:

  • Update logger to not be MDAnalysis.analysis linked
  • Switch from versioneer to versioningit
  • Fix duecredit module path
  • Switch fully to pyproject.toml

PR Checklist

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

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codecov bot commented Dec 28, 2023

Codecov Report

Merging #12 (d4b7789) into main (b143c67) will decrease coverage by 0.02%.
The diff coverage is 100.00%.

❗ Current head d4b7789 differs from pull request most recent head 6e03004. Consider uploading reports for the commit 6e03004 to get more accurate results

Additional details and impacted files

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

Line 18:1: E402 module level import not at top of file

@IAlibay IAlibay marked this pull request as ready for review December 28, 2023 22:49
@@ -10,13 +10,10 @@

due.cite(Doi("10.1371/journal.pcbi.1004568"),
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We're importing duecredit directly from upstream mdanalysis - do we care about this? I don't actually know if it matters and/or if it might be better not to do this. The alternative is just to add the vendored file here (it's a reasonably cost-free process).

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One still needs to install duecredit IIRC and I'd assume that people would install it together with MDA if they cared about it. So I think it's ok to leave it imported from MDA.

At the end of the day, this package does not run without MDA so we can use it from there.

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hooray for cleanup!

@@ -10,13 +10,10 @@

due.cite(Doi("10.1371/journal.pcbi.1004568"),
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One still needs to install duecredit IIRC and I'd assume that people would install it together with MDA if they cared about it. So I think it's ok to leave it imported from MDA.

At the end of the day, this package does not run without MDA so we can use it from there.

Comment on lines +18 to +31
classifiers = [
"Development Status :: 6 - Mature",
"Environment :: Console",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: GNU General Public License v2 or later (GPLv2+)",
"Programming Language :: C",
"Programming Language :: Python",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"Topic :: Scientific/Engineering",
"Topic :: Software Development :: Libraries :: Python Modules",
]
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oops... these metadata were missing? Thanks for adding!

@orbeckst orbeckst self-assigned this Jan 2, 2024
@orbeckst orbeckst merged commit 941dbb1 into main Jan 2, 2024
30 checks passed
@orbeckst orbeckst deleted the spruce-up branch January 2, 2024 21:09
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orbeckst commented Jan 2, 2024

thank you!

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Update package to be Py3.12 compatible
3 participants