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update conda env files #132

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Jul 18, 2024
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7 changes: 1 addition & 6 deletions devtools/conda-envs/environment.yaml
Original file line number Diff line number Diff line change
@@ -1,12 +1,7 @@
name: membrane-curvature
channels:
- conda-forge
- defaults
dependencies:
- python
- pip
- numpy

# Pip-only installs
- pip:
- MDAnalysis>=2.0.0b0
- MDAnalysis>=2.0.0
7 changes: 1 addition & 6 deletions devtools/conda-envs/test_env.yaml
Original file line number Diff line number Diff line change
@@ -1,17 +1,12 @@
name: test
channels:
- conda-forge
- defaults
dependencies:
- python
- pip
- numpy
- sphinx
- MDAnalysis>=2.0.0
# Testing
- pytest
- pytest-cov
- codecov

# Pip-only installs
- pip:
- MDAnalysis>=2.0.0
8 changes: 2 additions & 6 deletions devtools/conda-envs/test_min.yaml
Original file line number Diff line number Diff line change
@@ -1,17 +1,13 @@
name: test
channels:
- conda-forge
- defaults
dependencies:
- python
- pip
- numpy==1.20.0
- numpy==1.21.0
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I would suggest just removing 3.9 and bumping this up - but if folks are intent on keeping 3.9, then at least increasing to 1.21.0 is a need (since osx-arm64 will require 1.21+ for py39).

The main reason we're bumping here is because newer scipy will work with older numpy, but features are mostly turned off (like pkdtree).

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I think 3.9 is included here because it’s the minimally supported version and that’s what this test is supposed to check.

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Sorry what I meant here was "maybe the minimum should be Python 3.10 not 3.9"

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If you want to bump the minimally supported Python version of membrane-curvature to 3.10 then we can do that (even though its dependencies still support 3.9). If we bump then we should do a new release with advertised 3.10 - 3.12 (not sure if 3.12 is in pyproject.toml).

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It is in there — so it would just be removing 3.9 along spec0 Blabla.

- MDAnalysis==2.0.0
- sphinx
# Testing
- pytest
- pytest-cov
- codecov

# Pip-only installs
- pip:
- MDAnalysis==2.0.0
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