Skip to content

Commit

Permalink
(PR #32) Release-0.4.0 prep
Browse files Browse the repository at this point in the history
* Removed aiida-diff template leftovers from README.md
* Bumped version
  • Loading branch information
edan-bainglass authored Aug 31, 2023
1 parent aeafc60 commit fd89e22
Show file tree
Hide file tree
Showing 2 changed files with 1 addition and 46 deletions.
45 changes: 0 additions & 45 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -29,51 +29,6 @@ A collaboration between EPFL & Empa, within the BIG-MAP Stakeholder Initiative C
- [`LICENSE`](LICENSE): License for your plugin
- [`MANIFEST.in`](MANIFEST.in): Configure non-Python files to be included for publication on [PyPI](https://pypi.org/)
- [`README.md`](README.md): This file
- [`conftest.py`](conftest.py): Configuration of fixtures for [pytest](https://docs.pytest.org/en/latest/)
- [`pytest.ini`](pytest.ini): Configuration of [pytest](https://docs.pytest.org/en/latest/) test discovery
- [`setup.json`](setup.json): Plugin metadata for registration on [PyPI](https://pypi.org/) and the [AiiDA plugin registry](https://aiidateam.github.io/aiida-registry/) (including entry points)
- [`setup.py`](setup.py): Installation script for pip / [PyPI](https://pypi.org/)

See also the following video sequences from the 2019-05 AiiDA tutorial:

- [aiida-diff setup.json](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=240s)
- [run aiida-diff example calculation](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=403s)
- [aiida-diff CalcJob plugin](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=685s)
- [aiida-diff Parser plugin](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=936s)
- [aiida-diff computer/code helpers](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=1238s)
- [aiida-diff input data (with validation)](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=1353s)
- [aiida-diff cli](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=1621s)
- [aiida-diff tests](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=1931s)
- [Adding your plugin to the registry](https://www.youtube.com/watch?v=760O2lDB-TM&t=112s)
- [pre-commit hooks](https://www.youtube.com/watch?v=760O2lDB-TM&t=333s)

For more information, see the [developer guide](https://aiida-diff.readthedocs.io/en/latest/developer_guide) of your plugin.

## Features

- Add input files using `SinglefileData`:

```python
SinglefileData = DataFactory('singlefile')
inputs['file1'] = SinglefileData(file='/path/to/file1')
inputs['file2'] = SinglefileData(file='/path/to/file2')
```

- Specify command line options via a python dictionary and `DiffParameters`:

```python
d = { 'ignore-case': True }
DiffParameters = DataFactory('aurora')
inputs['parameters'] = DiffParameters(dict=d)
```

- `DiffParameters` dictionaries are validated using [voluptuous](https://github.com/alecthomas/voluptuous).
Find out about supported options:

```python
DiffParameters = DataFactory('aurora')
print(DiffParameters.schema.schema)
```

## Installation

Expand Down
2 changes: 1 addition & 1 deletion aiida_aurora/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -4,4 +4,4 @@
AiiDA plugin for the Aurora platform.
"""

__version__ = "0.3.2"
__version__ = "0.4.0"

0 comments on commit fd89e22

Please sign in to comment.