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using the latest cookiecutter to make maintenance easier #93

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merged 31 commits into from
Mar 30, 2024

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@xiki-tempula xiki-tempula commented Mar 23, 2024

For easier future maintenance, I think it would be good for this repo to adopt the MOLSSI cookiecutter.
Then we could easily pull fix from there.
This PR also fixed RTD (See the build for this here https://alchemtest--93.org.readthedocs.build/en/93/)
Also fixes #92
Tested in https://github.com/alchemistry/alchemlyb/actions/runs/8409355524/job/23026883761?pr=351
The versioner is gone in this PR.

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codecov bot commented Mar 23, 2024

Codecov Report

Merging #93 (eb912be) into master (4620f2a) will decrease coverage by 0.01%.
The diff coverage is 100.00%.

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@xiki-tempula xiki-tempula marked this pull request as ready for review March 23, 2024 23:31
@xiki-tempula xiki-tempula changed the title using the latest cookiecutter to make maintenance much easier using the latest cookiecutter to make maintenance easier Mar 23, 2024
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Please see comments.

Leave LICENSE as it was.

LICENSE Outdated

Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions are met:
Copyright 2024, alchemtest developers
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Suggested change
Copyright 2024, alchemtest developers
Copyright (c) 2017-2024, alchemtest developers

LICENSE Outdated
@@ -1,28 +1,21 @@
Copyright (c) 2017, alchemtest developers
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Keep the original license file. I don't want to have to think like a lawyer and figure out if the old and the new one are equivalent. Just keep the old file verbatim.

# omit the versioneer-installed _version.py
src/alchemtest/_version.py
alchemtest/_version.py
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Do we still have a file _version.py?

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It is automatically generated by git versioneer when you pip install it. Looks like
__version__ = "0.10.0.dev0"

.github/CONTRIBUTING.md Show resolved Hide resolved
Comment on lines 43 to 48
- name: Additional info about the build
shell: bash
run: |
uname -a
df -h
ulimit -a
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We can probably delete this section — I don't think I ever cared about this info.

docs/conf.py Outdated

# -- General configuration ------------------------------------------------
project = 'alchemtest'
copyright = ("2024, David Dotson, Zhiyi Wu. Project structure based on the "
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2017-2024 and include all authors or "The Alchemtest Authors"

docs/conf.py Outdated
project = 'alchemtest'
copyright = ("2024, David Dotson, Zhiyi Wu. Project structure based on the "
"Computational Molecular Science Python Cookiecutter version 1.1")
author = 'David Dotson, Zhiyi Wu'
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all authors

docs/conf.py Outdated
author = 'David Dotson, Zhiyi Wu'

# The short X.Y version
version = ''
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use alchemtest.__version__

docs/conf.py Outdated
# The short X.Y version
version = ''
# The full version, including alpha/beta/rc tags
release = ''
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set to version

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lgtm, I'll just include two small changes

docs/conf.py Outdated Show resolved Hide resolved
docs/conf.py Outdated Show resolved Hide resolved
@orbeckst orbeckst self-assigned this Mar 30, 2024
@orbeckst orbeckst merged commit 6e0917f into alchemistry:master Mar 30, 2024
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orbeckst added a commit that referenced this pull request Mar 30, 2024
Ignore commit 6e0917f from PR #93 for git-blame because this commit moved almost all files.
@xiki-tempula xiki-tempula deleted the feat_main branch March 31, 2024 10:09
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Need to support python 3.12
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