Metadata-Version: 2.1
Name: state-interface
Version: 1.1.0
Summary: ASE STATE interface
Home-page: UNKNOWN
Author: Harry Handoko HALIM, Kurt Irvin Medina ROJAS, Ryo UEDA
Author-email: harry@cp.prec.eng.osaka-u.ac.jp, krojas@cp.prec.eng.osaka-u.ac.jp, u483198f@gmail.com
License: UNKNOWN
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Description-Content-Type: text/markdown
Requires-Dist: ase (==3.22.1)

# ase-state-interface

## Installaion

### Installation via Conda package manager
```
$ conda create -n ase_state_env python=3.7 pip -y
$ git clone https://github.com/uedar/ase-state-interface.git
$ conda activate ase_state_env
$ pip install ase-state-interface
```
---
## Developer Notes
### Setup developer environment using Conda

```bash
# Needs python3.6, ase for maximum compatability
# needs Proper linting tools (flake8 pydocstyle pylint autopep8) for compliance
# Create conda environment:
$ conda install -n dev -c conda-forge python=3.6 tk flask pylint flake8 ase=3.22 pytest=5.2 jupyterlab autopep8 pydocstyle
```

### Visual Studio Code (vscode) python linting configuration
- flake8, pylint and pydocstyle will be used together.
STEPS:
1. File > Preferences > Settings > Workspace
2. Search 'python'
3. Click 'Edit in settings.json'
4. Add the following code
```json
{
  "python.linting.flake8Enabled": true,
  "python.linting.pylintEnabled": true,
  "python.linting.enabled": true,
  "python.linting.pydocstyleEnabled": true
}
```
5. Save and restart


### Code-style Compliance checklist
- [ ] Run `pylint filename.py`
- [ ] Run `flake8 filename.py`

