diff --git a/README.md b/README.md index 5cd7cec..2b5a91e 100644 --- a/README.md +++ b/README.md @@ -1,14 +1,37 @@ -# Project +# aiida-dynamic-workflows +An AiiDA plugin for dynamically composing workflows from Python functions that run as CalcJobs. -> This repo has been populated by an initial template to help get you started. Please -> make sure to update the content to build a great experience for community-building. +**This is experimental, pre-alpha software**. -As the maintainer of this project, please make a few updates: -- Improving this README.MD file to provide a great experience -- Updating SUPPORT.MD with content about this project's support experience -- Understanding the security reporting process in SECURITY.MD -- Remove this section from the README +## Prerequisites +An environment where the _development_ version of AiiDA is installed. +This plugin makes use of a bugfix on the development branch, which will +not be included in an AiiDA release until v2.0. + + +## Installing +As pre-alpha software, this package is **not** released on PyPI. +Currently the only way to install the plugin is to clone the +repository and use `pip`: +```bash +pip install -e . +``` + + +## Initialization +This plugin uses Conda for managing Python environments on remote computers. +Any Computers that you use with this plugin must have a `conda_dir` property +that contains an absolute path to the Conda directory on the machine +(typically something like `/home/{username}/miniconda3`. +The `add_extras.py` script in `example_cluster_setup/` can help you with this + + +## Examples +The [`examples/`](./examples) directory contains Jupyter notebooks that illustrate the main +features of `aiida-dynamic-workflows`. The notebooks are in Markdown format, and so require +the Jupyter plugin [jupytext](https://jupytext.readthedocs.io/en/latest/) in order to run them. + ## Contributing @@ -26,8 +49,8 @@ contact [opencode@microsoft.com](mailto:opencode@microsoft.com) with any additio ## Trademarks -This project may contain trademarks or logos for projects, products, or services. Authorized use of Microsoft -trademarks or logos is subject to and must follow +This project may contain trademarks or logos for projects, products, or services. Authorized use of Microsoft +trademarks or logos is subject to and must follow [Microsoft's Trademark & Brand Guidelines](https://www.microsoft.com/en-us/legal/intellectualproperty/trademarks/usage/general). Use of Microsoft trademarks or logos in modified versions of this project must not cause confusion or imply Microsoft sponsorship. Any use of third-party trademarks or logos are subject to those third-party's policies.