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Changelog

v0.5.1

Patch release with a small fix related to a change in the activate scripts of venv for Python 3.10.

🐛 Bug fixes

  • Fix append_deactivate_text for venv [20302b1]

v0.5.0

The most important change in this release, and a breaking one, is the switch from using virtualenv to venv. The main motivation here is that venv is part of the standard library since Python 3.3, and hence doesn't require an extra dependency that offers little extra benefits. This means that when updating to version 0.5.0 from <=0.4.0, you will need to move the project directory for virtualenv projects to venv:

❯ mv $aiida_project_dir/.aiida_projects/virtualenv $aiida_project_dir/.aiida_projects/venv

New features and improvements include:

  • Install plugins directly from GitHub repositories:

    ❯ aiida-project create --plugin git@github.com:bastonero/aiida-vibroscopy.git vibro

  • The --python option now tries to resolve the path to the provided Python version instead of requiring a full path. The full path to the Python binary is now also shown during project creation:

    ❯ aiida-project create --python 3.9 aiida
✨ Creating the project directory and environment using the Python binary:
/opt/homebrew/Cellar/python@3.9/3.9.16/Frameworks/Python.framework/Versions/3.9/bin/python3.9

‼️ Breaking changes

  • Switch from virtualenv to venv [bf7b619]

✨ New features

  • Allow plugin installs from GitHub repository [892c685]

👌 Improvements

  • Improve init and create messaging [2b57b99]
  • CLI: improve create --python versatility [d16c4e9]

🐛 Bug fixes

  • CLI: Fix typo in create --python option [f856612]

📚 Documentation

⬆️ Update dependencies

  • Dependencies: update pydantic dependency [2564715]

v0.4.0

The entire CLI has been converted into typer for clearer and richer output. A new aiida-project init command has also been added, which allows the user to specify the shell they are using and sets up the (currently default) configuration in the $HOME/.aiida_project.env file:

❯ aiida-project init
👋 Hello there! Which shell are you using? (zsh detected) [bash/zsh/fish]: zsh
✨🚀 AiiDA-project has been initialised! 🚀✨

✨ New features

👌 Improvements

  • CLI: Switch to using typer [048deac]

📚 Documentation

  • Update README.md with warning and basic usage [8aca30c]

🔧 Maintenance

  • Devops: Add update_changelog.py script [fbb4af9]

❓ Other

  • Provide error message for disabled conda engine [979cf91]

0.3.0

Major overhaul of the entire package, the details of which can be found in the corresponding commit message. Also added the aiida-project destroy command to remove project folders as well as their Python environments.

‼️ Breaking changes

✨ New features

🔧 Maintenance

0.2.0

Only one change in this pre-alpha version:

  • 🔧 MAINTAIN: addition of an automated GitHub workflow to streamline the release process.

0.1.0

This is the original version version developed by @DropD, fixed so it can be installed and the basic features are operational.