diff --git a/.github/workflows/lint-and-test.yml b/.github/workflows/lint-and-test.yml index 5f94152b0..2b143b69c 100644 --- a/.github/workflows/lint-and-test.yml +++ b/.github/workflows/lint-and-test.yml @@ -29,7 +29,7 @@ jobs: fail-fast: false matrix: os: ["ubuntu-latest", "macos-latest", "windows-latest"] - python-version: ["3.10"] + python-version: ["3.10", "3.11"] steps: diff --git a/docs/change_log.md b/docs/change_log.md index ce349d3c8..6b5b4b7b0 100644 --- a/docs/change_log.md +++ b/docs/change_log.md @@ -22,7 +22,7 @@ Newest available: v0.11.1 We highly recommended that you install simmate into a clean conda environment, rather than updating simmate within your existing one: ``` shell -conda create -n my_env -c conda-forge python=3.10 simmate +conda create -n my_env -c conda-forge python=3.11 simmate ``` Make sure you check that the expected version is now installed: @@ -66,7 +66,6 @@ There is one key exception to the rules above -- and that is with `MAJOR`=0 rele **Enhancements** **Refactors** **Fixes** - - no new changes have been merged into the `main` branch yet --> @@ -76,6 +75,7 @@ There is one key exception to the rules above -- and that is with `MAJOR`=0 rele - add CLEASE app for cluster expanison calculations (these workflows are highly experimental at the moment - so use with caution) - update "bad-elf" workflow to accept an empty-atom template structure or a list of empty sites +- add python 3.11 support **Refactors** @@ -90,7 +90,6 @@ of empty sites - fix site ordering in NEB supercell structures - improve installation speed and guide users to conda alternatives - !!! warning The refactoring of simmate "apps" led to many breaking changes in the python API. We strongly recommend clearing your `~/simmate/` directory, especially the diff --git a/docs/getting_started/installation/create_your_env.md b/docs/getting_started/installation/create_your_env.md index ebf0de19e..900a9872a 100644 --- a/docs/getting_started/installation/create_your_env.md +++ b/docs/getting_started/installation/create_your_env.md @@ -10,7 +10,7 @@ For now, let's create a new environment that uses the [conda-forge](https://cond Now let's run this command below. Note you can switch out the name `my_env` for whatever you want here, just make sure you use underscores instead of spaces (`my_env` will work while `my env` will give an error). ``` shell -conda create -c conda-forge -n my_env python=3.10 +conda create -c conda-forge -n my_env python=3.11 ``` Say yes when the installation asks for confirmation. diff --git a/docs/getting_started/installation/quick_start.md b/docs/getting_started/installation/quick_start.md index cac0c76d4..988ed5bd6 100644 --- a/docs/getting_started/installation/quick_start.md +++ b/docs/getting_started/installation/quick_start.md @@ -12,7 +12,7 @@ In this tutorial, you will learn how to install Simmate with Anaconda and start 1. Install [anaconda](https://www.anaconda.com/products/distribution) 2. Create a conda environment, install Simmate in it, and activate it. *(note: Spyder is our recommended IDE but optional)* ``` shell -conda create -n my_env -c conda-forge python=3.10 simmate +conda create -n my_env -c conda-forge python=3.11 simmate conda install -n my_env -c conda-forge spyder # optional but recommended conda activate my_env ``` diff --git a/docs/getting_started/run_a_workflow/submit_to_a_cluster.md b/docs/getting_started/run_a_workflow/submit_to_a_cluster.md index a36a25efc..7df63fb6f 100644 --- a/docs/getting_started/run_a_workflow/submit_to_a_cluster.md +++ b/docs/getting_started/run_a_workflow/submit_to_a_cluster.md @@ -124,7 +124,7 @@ With Anaconda set up, you can create your environment and install Simmate just l ``` shell # Create your conda env with... -conda create -n my_env -c conda-forge python=3.10 simmate +conda create -n my_env -c conda-forge python=3.11 simmate conda activate my_env diff --git a/pyproject.toml b/pyproject.toml index 736d7230b..367c28fc0 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -50,7 +50,7 @@ classifiers=[ "Development Status :: 3 - Alpha", "Intended Audience :: Science/Research", "License :: OSI Approved :: BSD License", - "Programming Language :: Python :: 3.10", + "Programming Language :: Python :: 3.11", "Operating System :: OS Independent", ]