Python 3.12

.github/workflows/macos-arm.yaml

@@ -44,7 +44,7 @@ jobs:
         os: [macos-14]
         # Python 3.8/3.9 is not on macos-latest (macos-14-arm64)
         # https://github.com/actions/setup-python/issues/696
-        python-version: ["3.10", "3.11"]
+        python-version: ["3.10", "3.11", "3.12"]
         # only test oldest and newest version of torch
         torch-version: ["1.11.0", "2.4.1"]
         exclude:

.github/workflows/macos-x86.yaml

@@ -42,7 +42,7 @@ jobs:
       fail-fast: false
       matrix:
         os: [macos-12, macos-13]
-        python-version: ["3.8", "3.9", "3.10", "3.11"]
+        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
         # only test oldest and newest version of torch
         torch-version: ["1.11.0", "2.2.2"]
         exclude:

.github/workflows/ubuntu-nolibcint.yaml

@@ -42,7 +42,7 @@ jobs:
       fail-fast: false
       matrix:
         os: [ubuntu-latest]
-        python-version: ["3.8", "3.9", "3.10", "3.11"]
+        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
         torch-version: ["2.4.1"]
         exclude:
           # Check latest versions here: https://download.pytorch.org/whl/torch/

.github/workflows/ubuntu-pytorch-1.yaml

@@ -42,7 +42,7 @@ jobs:
       fail-fast: false
       matrix:
         os: [ubuntu-latest]
-        python-version: ["3.8", "3.9", "3.10", "3.11"]
+        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
         torch-version: ["1.11.0", "1.12.1", "1.13.1"]
         exclude:
           # Check latest versions here: https://download.pytorch.org/whl/torch/

.github/workflows/ubuntu.yaml

@@ -42,8 +42,7 @@ jobs:
       fail-fast: false
       matrix:
         os: [ubuntu-latest]
-        # python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
-        python-version: ["3.8", "3.9", "3.10", "3.11"]
+        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
         torch-version: ["2.0.1", "2.1.2", "2.2.2", "2.3.1", "2.4.1"]
         exclude:
           # Check latest versions here: https://download.pytorch.org/whl/torch/

.github/workflows/windows.yaml

@@ -42,7 +42,7 @@ jobs:
       fail-fast: false
       matrix:
         os: [windows-latest]
-        python-version: ["3.8", "3.9", "3.10", "3.11"]
+        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
         # only test oldest and newest version of torch
         torch-version: ["1.11.0", "2.4.1"]
         exclude:

README.md

@@ -137,9 +137,9 @@ For more examples and details, check out [the documentation](https://dxtb.readth
 | 1.13.1           | :white_check_mark: | :white_check_mark: | :white_check_mark: | :white_check_mark: | :x:                |
 | 2.0.1            | :white_check_mark: | :white_check_mark: | :white_check_mark: | :white_check_mark: | :x:                |
 | 2.1.2            | :white_check_mark: | :white_check_mark: | :white_check_mark: | :white_check_mark: | :x:                |
-| 2.2.2            | :white_check_mark: | :white_check_mark: | :white_check_mark: | :white_check_mark: | planned |
-| 2.3.1            | :white_check_mark: | :white_check_mark: | :white_check_mark: | :white_check_mark: | planned |
-| 2.4.1            | :white_check_mark: | :white_check_mark: | :white_check_mark: | :white_check_mark: | planned |
+| 2.2.2            | :white_check_mark: | :white_check_mark: | :white_check_mark: | :white_check_mark: | :white_check_mark: |
+| 2.3.1            | :white_check_mark: | :white_check_mark: | :white_check_mark: | :white_check_mark: | :white_check_mark: |
+| 2.4.1            | :white_check_mark: | :white_check_mark: | :white_check_mark: | :white_check_mark: | :white_check_mark: |
 
 Note that only the latest bug fix version is listed, but all preceding bug fix minor versions are supported.
 For example, although only version 2.2.2 is listed, version 2.2.0 and 2.2.1 are also supported.

environment.yaml

@@ -22,7 +22,7 @@ channels:
 dependencies:
   - numpy<2
   - pydantic
-  - python>=3.8,<3.12
+  - python>=3.8,<3.13
   - pytorch>=1.11.0,<2.5
   - scipy # for xitorch
   - pytest

setup.cfg

@@ -53,7 +53,7 @@ install_requires =
     tomli-w
     torch>=1.11.0,<2.5
     typing-extensions
-python_requires = >=3.8, <3.12
+python_requires = >=3.8, <3.13
 package_dir =
     =src