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2 changes: 1 addition & 1 deletion .github/workflows/ci.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -23,7 +23,7 @@ jobs:
strategy:
matrix:
os: [ubuntu-latest, macos-latest]
python-version: ["3.11", "3.12", "3.13", "3.14"]
python-version: ["3.12", "3.13", "3.14"]
ambertools: [false, true]
openeye: [false, true]
mamba-executable: ["micromamba"] # TODO: Add "mamba" back
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4 changes: 0 additions & 4 deletions .github/workflows/ci_pixi.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -23,17 +23,13 @@ jobs:
matrix:
os: [ubuntu-latest, macos-latest]
environment: [
py311,
py312,
py313,
py314,
py311-openeye,
py312-openeye,
py313-openeye,
py311-ambertools,
py312-ambertools,
py313-ambertools,
py311-openeye-ambertools,
py312-openeye-ambertools,
py313-openeye-ambertools,
typing,
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3 changes: 1 addition & 2 deletions docs/README.md
Original file line number Diff line number Diff line change
Expand Up @@ -3,13 +3,12 @@
The docs for this project are built with [Sphinx](http://www.sphinx-doc.org/en/master/).
To compile the docs, first ensure that Sphinx and the ReadTheDocs theme are installed.


```bash
conda install sphinx sphinx_rtd_theme
```


Once installed, you can use the `Makefile` in this directory to compile static HTML pages by

```bash
make html
```
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2 changes: 2 additions & 0 deletions docs/_static/README.md
Original file line number Diff line number Diff line change
Expand Up @@ -6,11 +6,13 @@ They are copied after the builtin static files,
so a file named "default.css" will overwrite the builtin "default.css".

The path to this folder is set in the Sphinx `conf.py` file in the line:

```python
templates_path = ["_static"]
```

## Examples of file to add to this directory

* Custom Cascading Style Sheets
* Custom JavaScript code
* Static logo images
1 change: 1 addition & 0 deletions docs/_templates/README.md
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,7 @@ They are copied after the builtin template files,
so a file named "page.html" will overwrite the builtin "page.html".

The path to this folder is set in the Sphinx `conf.py` file in the line:

```python
html_static_path = ["_templates"]
```
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5,525 changes: 2,134 additions & 3,391 deletions pixi.lock

Large diffs are not rendered by default.

13 changes: 4 additions & 9 deletions pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -12,10 +12,9 @@ readme = "README.md"
license = "MIT"
license-files = [ "LICENSE" ]
authors = [ { name = "Open Force Field Initiative", email = "info@openforcefield.org" } ]
requires-python = ">=3.11"
requires-python = ">=3.12"
classifiers = [
"Programming Language :: Python :: 3 :: Only",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"Programming Language :: Python :: 3.13",
"Programming Language :: Python :: 3.14",
Expand All @@ -29,6 +28,7 @@ find = {}
fallback_version = "0.0.0"

[tool.ruff]
target-version = "py312"
line-length = 119
namespace-packages = [ "openff/utilities/" ]

Expand Down Expand Up @@ -98,11 +98,10 @@ dependencies = { openeye-toolkits = "*" }
ambertools = "*"
numpy = "2.2.*" # ParmEd bugs

[tool.pixi.feature.dev.dependencies]
[tool.pixi.feature.dev.pypi-dependencies]
pre-commit = "*"
ipdb = "*"

[tool.pixi.feature.py311.dependencies]
python = "3.11.*"
[tool.pixi.feature.py312.dependencies]
python = "3.12.*"
[tool.pixi.feature.py313.dependencies]
Expand All @@ -111,17 +110,13 @@ python = "3.13.*"
python = "3.14.*"

[tool.pixi.environments]
py311 = [ "py311", "test" ]
py312 = [ "py312", "test" ]
py313 = [ "py313", "test" ]
py314 = [ "py314", "test" ]
py311-openeye = [ "py311", "test", "openeye" ]
py312-openeye = [ "py312", "test", "openeye" ]
py313-openeye = [ "py313", "test", "openeye" ]
py311-ambertools = [ "py311", "test", "ambertools" ]
py312-ambertools = [ "py312", "test", "ambertools" ]
py313-ambertools = [ "py313", "test", "ambertools" ]
py311-openeye-ambertools = [ "py311", "test", "ambertools", "openeye" ]
py312-openeye-ambertools = [ "py312", "test", "ambertools", "openeye" ]
py313-openeye-ambertools = [ "py313", "test", "ambertools", "openeye" ]
dev = [ "py313", "dev" ]
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