Aiida-project

Latest version: v0.5.1

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0.5.1

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](https://github.com/aiidateam/aiida-project/commit/20302b1c88aaadcb6352a61635c7887cf68058b2)]

0.5.0

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`:

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


New features and improvements include:

* Install plugins directly from GitHub repositories:

console
❯ aiida-project create --plugin gitgithub.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:

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


‼️ Breaking changes

* Switch from `virtualenv` to `venv` [[bf7b619](https://github.com/aiidateam/aiida-project/commit/bf7b6198edf5a3fe69672019b5d61488e42e4693)]

✨ New features

* Allow plugin installs from GitHub repository [[892c685](https://github.com/aiidateam/aiida-project/commit/892c685959d3f0cc72afaccaf7bba6258564cba5)]

👌 Improvements

* Improve `init` and `create` messaging [[2b57b99](https://github.com/aiidateam/aiida-project/commit/2b57b9965881c6ea39237aeab5fe6c013effba42)]
* CLI: improve `create --python` versatility [[d16c4e9](https://github.com/aiidateam/aiida-project/commit/d16c4e9f7e81895a56cb8c97a660977870cf3b47)]

🐛 Bug fixes

* CLI: Fix typo in `create --python` option [[f856612](https://github.com/aiidateam/aiida-project/commit/f856612a126939ad73595d2a6e45e9814422e075)]

📚 Documentation

* Update `README.md` [[8f3d5ea](https://github.com/aiidateam/aiida-project/commit/8f3d5eac99a99d8aa9faa800bce09ee6d7ad1578)]

⬆️ Update dependencies

* Dependencies: update `pydantic` dependency [[2564715](https://github.com/aiidateam/aiida-project/commit/25647151ff1520fa021b7d7a96c5016173862799)]

0.4.0

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:

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


✨ New features

* CLI: Add `init` command [[ea53b83](https://github.com/aiidateam/aiida-project/commit/ea53b83898c4512464a51af96b68048fd5ccecbd)]

👌 Improvements

* CLI: Switch to using `typer` [[048deac](https://github.com/aiidateam/aiida-project/commit/048deac75691537f0ccfae6d1ff2cc2fa3194a91)]

📚 Documentation

* Update `README.md` with warning and basic usage [[8aca30c](https://github.com/aiidateam/aiida-project/commit/8aca30c32de0351d19534c9bf6673683c178ea6d)]

🔧 Maintenance

* Devops: Add `update_changelog.py` script [[fbb4af9](https://github.com/aiidateam/aiida-project/commit/fbb4af9287c82e7517f5732eb6238b258c22d708)]

❓ Other

* Provide error message for disabled `conda` engine [[979cf91](https://github.com/aiidateam/aiida-project/commit/979cf91eda4cb024ede8412c1eef7c9274849735)]

0.3.0

Major overhaul of the entire package, the details of which can be found in [the corresponding commit message](https://github.com/aiidateam/aiida-project/commit/a799ddc0763ca12ed179c821125bef6a4acb116d).
Also added the `aiida-project destroy` command to remove project folders as well as their Python environments.


‼️ Breaking changes

* [Overhaul entire package for `virtualenv`](https://github.com/aiidateam/aiida-project/commit/a799ddc0763ca12ed179c821125bef6a4acb116d)

✨ New features

* [Create default directory structure](https://github.com/aiidateam/aiida-project/commit/ceeda2f64c59366616db00d5d51b323087924f41)
* [Add the `aiida-project destroy` command](https://github.com/aiidateam/aiida-project/commit/260303e0dada0a8ace5c76c6ccb8539aece69614)

🔧 Maintenance

* [MAINTAIN: Update linting settings](https://github.com/aiidateam/aiida-project/commit/8fbc7de818820445acc31631e59af258395796fd)
* [MAINTAIN: Add `.pre-commit-config.yaml`](https://github.com/aiidateam/aiida-project/commit/938fce0a52c8f393adae9327785ff4fbeea0b4a2)

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0.2.0

Only one change in this pre-alpha version:

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

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0.1.0

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

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