Metadata-Version: 2.4
Name: atomict
Version: 1.2.12
Summary: The client application for the https://atomictessellator.com/
Author-email: Steven Anderson <steven@atomictessellator.com>, Alain Richardt <alain@atomictessellator.com>
License: MIT
Project-URL: Homepage, https://github.com/AtomicTessellator/atomic_cli
Keywords: atomic,tessellator,cli,client,fhi-aims,kpoint,sqs,adsorbate
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: requests
Requires-Dist: tenacity~=9.0
Requires-Dist: httpx
Requires-Dist: click~=8.0
Requires-Dist: rich~=13.0
Requires-Dist: deepdiff
Provides-Extra: utils
Requires-Dist: ase>=3.23.0; extra == "utils"
Requires-Dist: spglib==2.5.0; extra == "utils"
Requires-Dist: pymatgen==2025.3.10; extra == "utils"
Requires-Dist: msgpack==1.1.0; extra == "utils"
Requires-Dist: msgpack_numpy==0.4.8; extra == "utils"
Provides-Extra: dev
Requires-Dist: pytest~=8.0; extra == "dev"
Requires-Dist: black; extra == "dev"
Requires-Dist: isort; extra == "dev"
Requires-Dist: mypy; extra == "dev"
Requires-Dist: flake8; extra == "dev"
Dynamic: license-file

# Atomic Tessellator - CLI package

## Installation
```
pip install atomict

# install utils package with scientific extensions (ase, spglib) 
pip install atomict[utils]

# ", with a git url
pip install git+https://github.com/AtomicTessellator/atomic_cli#egg=atomict[utils]

# Troubleshooting
If pip install is not working, try:
pip install --upgrade setuptools pip wheel
```

## Installation for devs
```
pip install -e ".[dev]"
```

Enable verbose logging for debugging:

```
export AT_DEBUG=enabled
```

# CLI Usage

## Get a list of available commands

```$ tess```

![Alt text](img/at.png?raw=true "at")

You can get help for each command with `tess <command> --help`. This will print the command-specific help and options.
## Log in and store authentication token

```$ tess login```

This will prompt you for your username and password.


## Get a list of available projects

```$ tess project get```

![Alt text](img/at_project_get.png?raw=true "tess project get")


## Get a list of adsorbates

```$ tess adsorbate get```

![Alt text](img/at_adsorbate_get.png?raw=true "tess adsorbate get")

## Search objects for substrings

```$ tess adsorbate get --search NH3```

![Alt text](img/at_adsorbate_get_search.png?raw=true "tess adsorbate get --search")

## Get a list of tasks

```$ tess task get```

![Alt text](img/at_task_get.png?raw=true "tess task get")

## Get tasks with a specific status

```$ tess task get --status completed```

![Alt text](img/at_task_get_completed.png?raw=true "tess task get --status completed")

## Configuration

Tab completion is available. Run the hidden command:

```tess completion```

This will print out the instructions for enabling tab completion for your shell.
