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Update CI.yaml for Py3.12 and drop Py3.8 #98

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merged 13 commits into from
Feb 12, 2024
4 changes: 2 additions & 2 deletions .github/workflows/CI.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -29,7 +29,7 @@ jobs:
fail-fast: false
matrix:
os: [macOS-latest, ubuntu-latest, windows-latest]
python-version: [3.8, 3.9, "3.10", 3.11]
python-version: [3.9, "3.10", 3.11, 3.12]

steps:
- uses: actions/checkout@v3
Expand Down Expand Up @@ -86,7 +86,7 @@ jobs:
fail-fast: false
matrix:
os: [macOS-latest, ubuntu-latest, windows-latest]
python-version: [3.8, 3.9, "3.10", 3.11]
python-version: [3.9, "3.10", 3.11, 3.12]

steps:
- uses: actions/checkout@v3
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3 changes: 2 additions & 1 deletion devtools/conda-envs/test_env.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -7,8 +7,9 @@ dependencies:
- pip
- MDAnalysis>=2.0.0
- scipy
- setuptools
- numpy
- pandas<2.1
- pandas>=2.2
- matplotlib
- statsmodels
- pytest
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1 change: 1 addition & 0 deletions docs/requirements.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -13,6 +13,7 @@ dependencies:
- nbsphinx
- ipython
- plotly
- sphinx_rtd_theme


# Pip-only installs
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3 changes: 2 additions & 1 deletion pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -29,10 +29,11 @@ keywords = [

dependencies = [
'numpy>=1.20.0',
'pandas<2.1',
'pandas>=2.2',
'mdanalysis>=2.0.0',
'pytest',
'matplotlib',
'setuptools',
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Huh setuptools as a runtime dependency is really rare - what are you using it for? Usually it goes under build time dependencies.

P.S. if you drop versioneer you could drop setup.py completely I think

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using pkg_resources in python 3.12 has an explicit dependency on setuptools now. IIRC there is a replacement but I was too lazy to search it out.

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I always mess up the versioningit setup for some reason.

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Ah yeah - I'd drop pkg_resources, best thing is to use importlib. Here's the giant MDA example 😅 : https://github.com/MDAnalysis/mdanalysis/blob/develop/testsuite/MDAnalysisTests/datafiles.py

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re: versioningit setup - here's the recent change we did for waterdynamics, hopefully should give you all the things that need changing: https://github.com/MDAnalysis/waterdynamics/pull/28/files

'scipy',
'statsmodels',
'plotly',
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2 changes: 1 addition & 1 deletion requirements.txt
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
setuptools
numpy>=1.20.0
pandas<2.1
pandas>=2.2
mdanalysis>=2.0.0
pytest
pathlib
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