| Name | aiida-fireball JSON |
| Version |
1.0.2
JSON |
| download |
| home_page | None |
| Summary | AiiDA plugin for Fireball |
| upload_time | 2025-08-26 15:31:44 |
| maintainer | None |
| docs_url | None |
| author | None |
| requires_python | >=3.9 |
| license | MIT License
Copyright (c) 2024 Valk Scripter.
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:
The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.
THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE. |
| keywords |
aiida
plugin
|
| VCS |
 |
| bugtrack_url |
|
| requirements |
No requirements were recorded.
|
| Travis-CI |
No Travis.
|
| coveralls test coverage |
No coveralls.
|
# AiiDA Fireball Plugin
<div align="center">
<!-- Main Badges -->
<p>
<a href="https://github.com/mohamedmamlouk/aiida-fireball/actions">
<img src="https://img.shields.io/github/actions/workflow/status/mohamedmamlouk/aiida-fireball/ci.yml?branch=main&label=Build&style=flat-square&logo=github" alt="CI Status">
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<a href="https://pypi.org/project/aiida-fireball/">
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</a>
<a href="https://aiida-fireball.readthedocs.io/en/latest/?badge=latest">
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<a href="https://pypi.org/project/aiida-fireball/">
<img src="https://img.shields.io/pypi/dm/aiida-fireball?style=flat-square&color=blue&label=downloads" alt="Downloads">
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<img src="https://img.shields.io/github/forks/mohamedmamlouk/aiida-fireball?style=flat-square&color=orange" alt="GitHub forks">
</a>
</p>
**AiiDA plugin for Fireball DFT calculations**
*Efficient computational materials science with seamless AiiDA integration*
</div>
---
## Key Features
<table>
<tr>
<td width="50%">
**Complete Fireball Integration**
- Full support for DFT calculations
- Native AiiDA data structures and workflows
- Seamless integration with existing AiiDA infrastructure
**Advanced Transport Properties**
- State-of-the-art transport property calculations
- Electronic structure analysis
- Conductance and transmission calculations
</td>
<td width="50%">
**High-Performance Computing**
- Designed for large-scale computational studies
- Efficient parallel execution
- Optimized for HPC environments
**Developer-Friendly**
- Clean, well-documented API
- Similar interface to AiiDA Quantum ESPRESSO
- Comprehensive test coverage and examples
</td>
</tr>
</table>
## Installation
<details>
<summary><strong>Prerequisites</strong></summary>
- Python 3.9 or higher
- AiiDA 2.0 or higher
- Fireball code installed on your system
- PostgreSQL database (for AiiDA)
</details>
### Quick Start
#### From PyPI (Recommended)
```bash
pip install aiida-fireball
```
#### From Source
```bash
git clone https://github.com/mohamedmamlouk/aiida-fireball.git
cd aiida-fireball
pip install -e .
```
### Verify Installation
```bash
verdi plugin list aiida.calculations
# Should show: fireball
```
## Quick Start
Get up and running in minutes! Here's a simple silicon calculation:
```python
from ase.build import bulk
from aiida.plugins import DataFactory, CalculationFactory
from aiida.engine import submit
from aiida import orm
# Create silicon structure with ASE
StructureData = DataFactory('core.structure')
si_ase = bulk('Si', 'diamond', a=5.43)
structure = StructureData(ase=si_ase)
# Basic parameters
parameters = orm.Dict({
'OPTION': {
'iquench': 0, # No optimization
'dt': 0.25, # Time step
'nstepf': 1, # Number of steps
'ifixcharges': 1, # Fix atomic charges
},
'OUTPUT': {
'iwrtdos': 0, # Don't write DOS
'iwrtxyz': 1, # Write position trajectory
}
})
# Submit calculation
FireballCalculation = CalculationFactory('fireball')
calc_node = submit(FireballCalculation,
code=orm.load_code('fireball@localhost'),
structure=structure,
parameters=parameters,
kpoints=kpoints, # 4x4x4 mesh
fdata_remote=fdata_remote,
metadata={'options': {'resources': {'num_machines': 1}}}
)
print(f"Calculation submitted: PK={calc_node.pk}")
```
# Submit calculation
calc_node = submit(FireballCalculation, **inputs)
print(f"Calculation submitted: PK={calc_node.pk}")
```
## Documentation
Full documentation is available at [ReadTheDocs](https://aiida-fireball.readthedocs.io/).
- [Installation Guide](https://aiida-fireball.readthedocs.io/en/latest/user_guide/get_started.html)
- [Tutorial](https://aiida-fireball.readthedocs.io/en/latest/user_guide/tutorial.html)
- [API Reference](https://aiida-fireball.readthedocs.io/en/latest/developer_guide/index.html)
```
### 3. Transport Calculations
```python
# Transport calculation with all optional files
transport_inputs = {
'code': code,
'structure': structure,
'kpoints': kpoints,
'fdata_remote': fdata_remote,
'parameters': orm.Dict(dict={
'OPTION': {
'iimage': 1, # single point calculation
},
'OUTPUT': {
'iwrtpop': 1,
}
}),
'settings': orm.Dict(dict={
'TRANSPORT': {
'INTERACTION': {
'ncell1': 0,
'total_atoms1': 5,
'ninterval1': 1,
'intervals1': [[1, 5]],
'natoms_tip1': 2,
'atoms1': [1, 2],
'ncell2': 0,
'total_atoms2': 5,
'ninterval2': 1,
'intervals2': [[4, 5]],
'natoms_tip2': 2,
'atoms2': [4, 5]
},
'ETA': {
'imag_part': 0.01,
'intervals': [[1, 2], [4, 5]]
},
'TRANS': {
'ieta': True,
'iwrt_trans': True,
'ichannel': False,
'ifithop': 1,
'Ebottom': -2.0,
'Etop': 2.0,
'nsteps': 100,
'eta': 0.01
},
'BIAS': {
'bias': 1.0,
'z_top': 10.0,
'z_bottom': 0.0
}
}
}),
'metadata': {
'options': {
'resources': {'num_machines': 1},
'max_wallclock_seconds': 3600,
}
}
}
calc_node = submit(FireballCalculation, **transport_inputs)
```
### 4. Advanced Parallel Calculations
For high-throughput surface calculations with charge state variations:
```python
# Generate W(110) surface with ASE
from ase.build import bcc110
slab = bcc110('W', size=(1,1,15), a=3.1652, vacuum=20.0)
structure = StructureData(ase=slab)
# Submit parallel calculations for different charge states
qstates = [0, 0.0078, 0.0156, 0.0233, 0.0311, 0.0389, 0.0467, 0.0545]
for q in qstates:
params = {
"OPTION": {
"nstepi": 1, "nstepf": 5000, "icluster": 0,
"iquench": -1, "dt": 0.25, "qstate": q
},
"OUTPUT": {"iwrtxyz": 0, "iwrtdos": 0}
}
builder = FireballCalculation.get_builder()
builder.code = code
builder.structure = structure
builder.parameters = Dict(dict=params)
builder.fdata_remote = fdata_remote
builder.metadata.label = f"W110_q{q}"
# HPC optimization
builder.metadata.options.prepend_text = """
# Fix qstate formatting
sed -i "s/\\(qstate *= *\\)'\\([0-9.]*d0\\)'/\\1\\2/" fireball.in
"""
calc = submit(builder)
print(f"qstate={q} → PK={calc.pk}")
```
See [`examples/submit_qstate_parallel.py`](examples/submit_qstate_parallel.py) for the complete example.
## Documentation
Full documentation is available at [ReadTheDocs](https://aiida-fireball.readthedocs.io/).
- [Installation Guide](https://aiida-fireball.readthedocs.io/en/latest/user_guide/get_started.html)
- [Tutorial](https://aiida-fireball.readthedocs.io/en/latest/user_guide/tutorial.html)
- [API Reference](https://aiida-fireball.readthedocs.io/en/latest/developer_guide/index.html)
## Examples
See the `examples/` directory for complete working examples:
- `examples/basic_calculation.py` - Simple molecular calculation
- `examples/transport_calculation.py` - Transport properties calculation
- `examples/birch_murnaghan.py` - Equation of state workflow
## Testing
```bash
# Run all tests
pytest
# Run specific test
pytest tests/calculations/test_fireball.py
# Run with coverage
pytest --cov=aiida_fireball --cov-report=html
```
## Contributing
We welcome contributions! Please see [CONTRIBUTING.md](CONTRIBUTING.md) for guidelines.
### Development Setup
```bash
git clone https://github.com/mamloukmohamed/aiida-fireball.git
cd aiida-fireball
pip install -e .[dev]
pre-commit install
```
## License
This project is licensed under the MIT License - see the [LICENSE](LICENSE) file for details.
## Citation
If you use this plugin in your research, please cite:
```bibtex
@misc{aiida_fireball,
title={AiiDA Fireball Plugin},
author={ValkScripter and mohamedmamlouk},
year={2025},
url={https://github.com/mohamedmamlouk/aiida-fireball},
note={PyPI: https://pypi.org/project/aiida-fireball/}
}
```
## Support & Resources
<div align="center">
| Resource | Link |
|----------|------|
| **Documentation** | [aiida-fireball.readthedocs.io](https://aiida-fireball.readthedocs.io/) |
| **Issues & Bugs** | [GitHub Issues](https://github.com/mohamedmamlouk/aiida-fireball/issues) |
| **Discussions** | [GitHub Discussions](https://github.com/mohamedmamlouk/aiida-fireball/discussions) |
| **PyPI Package** | [pypi.org/project/aiida-fireball](https://pypi.org/project/aiida-fireball/) |
| **AiiDA Community** | [aiida.net](https://aiida.net/) |
</div>
---
<div align="center">
**Contributors**
<a href="https://github.com/ValkScripter">
<img src="https://img.shields.io/badge/ValkScripter-Developer-blue?style=flat-square&logo=github" alt="ValkScripter">
</a>
<a href="https://github.com/mohamedmamlouk">
<img src="https://img.shields.io/badge/mohamedmamlouk-Developer-blue?style=flat-square&logo=github" alt="mohamedmamlouk">
</a>
*If you find this project useful, please consider giving it a star ⭐*
</div>
Raw data
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"author_email": "Valk Scripter <valkscode@gmail.com>, mamloukmohamed <mohamedmamlouk@example.com>",
"download_url": "https://files.pythonhosted.org/packages/97/a5/b09269b24dbc8f3aeb9f1cc376dff93c82d9d0c58e60ee6c82830b816c73/aiida_fireball-1.0.2.tar.gz",
"platform": null,
"description": "# AiiDA Fireball Plugin\n\n<div align=\"center\">\n\n\n\n<!-- Main Badges -->\n<p>\n <a href=\"https://github.com/mohamedmamlouk/aiida-fireball/actions\">\n <img src=\"https://img.shields.io/github/actions/workflow/status/mohamedmamlouk/aiida-fireball/ci.yml?branch=main&label=Build&style=flat-square&logo=github\" alt=\"CI Status\">\n </a>\n <a href=\"https://pypi.org/project/aiida-fireball/\">\n <img src=\"https://img.shields.io/pypi/v/aiida-fireball?style=flat-square&logo=pypi&logoColor=white\" alt=\"PyPI version\">\n </a>\n <a href=\"https://pypi.org/project/aiida-fireball/\">\n <img src=\"https://img.shields.io/badge/python-3.9%20|%203.10%20|%203.11%20|%203.12-blue?style=flat-square&logo=python&logoColor=white\" alt=\"Python versions\">\n </a>\n <a href=\"https://aiida-fireball.readthedocs.io/en/latest/?badge=latest\">\n <img src=\"https://readthedocs.org/projects/aiida-fireball/badge/?version=latest&style=flat-square\" alt=\"Documentation Status\">\n </a>\n</p>\n\n<!-- Secondary Badges -->\n<p>\n <a href=\"https://github.com/mohamedmamlouk/aiida-fireball/blob/main/LICENSE\">\n <img src=\"https://img.shields.io/github/license/mohamedmamlouk/aiida-fireball?style=flat-square&color=green\" alt=\"License\">\n </a>\n <a href=\"https://pypi.org/project/aiida-fireball/\">\n <img src=\"https://img.shields.io/pypi/dm/aiida-fireball?style=flat-square&color=blue&label=downloads\" alt=\"Downloads\">\n </a>\n <a href=\"https://github.com/mohamedmamlouk/aiida-fireball/stargazers\">\n <img src=\"https://img.shields.io/github/stars/mohamedmamlouk/aiida-fireball?style=flat-square&color=yellow\" alt=\"GitHub stars\">\n </a>\n <a href=\"https://github.com/mohamedmamlouk/aiida-fireball/network/members\">\n <img src=\"https://img.shields.io/github/forks/mohamedmamlouk/aiida-fireball?style=flat-square&color=orange\" alt=\"GitHub forks\">\n </a>\n</p>\n\n**AiiDA plugin for Fireball DFT calculations**\n\n*Efficient computational materials science with seamless AiiDA integration*\n\n</div>\n\n---\n\n## Key Features\n\n<table>\n<tr>\n<td width=\"50%\">\n\n**Complete Fireball Integration**\n- Full support for DFT calculations\n- Native AiiDA data structures and workflows\n- Seamless integration with existing AiiDA infrastructure\n\n**Advanced Transport Properties**\n- State-of-the-art transport property calculations\n- Electronic structure analysis\n- Conductance and transmission calculations\n\n</td>\n<td width=\"50%\">\n\n**High-Performance Computing**\n- Designed for large-scale computational studies\n- Efficient parallel execution\n- Optimized for HPC environments\n\n**Developer-Friendly**\n- Clean, well-documented API\n- Similar interface to AiiDA Quantum ESPRESSO\n- Comprehensive test coverage and examples\n\n</td>\n</tr>\n</table>\n\n## Installation\n\n<details>\n<summary><strong>Prerequisites</strong></summary>\n\n- Python 3.9 or higher\n- AiiDA 2.0 or higher \n- Fireball code installed on your system\n- PostgreSQL database (for AiiDA)\n\n</details>\n\n### Quick Start\n\n#### From PyPI (Recommended)\n\n```bash\npip install aiida-fireball\n```\n\n#### From Source\n\n```bash\ngit clone https://github.com/mohamedmamlouk/aiida-fireball.git\ncd aiida-fireball\npip install -e .\n```\n\n### Verify Installation\n\n```bash\nverdi plugin list aiida.calculations\n# Should show: fireball\n```\n\n## Quick Start\n\nGet up and running in minutes! Here's a simple silicon calculation:\n\n```python\nfrom ase.build import bulk\nfrom aiida.plugins import DataFactory, CalculationFactory\nfrom aiida.engine import submit\nfrom aiida import orm\n\n# Create silicon structure with ASE\nStructureData = DataFactory('core.structure')\nsi_ase = bulk('Si', 'diamond', a=5.43)\nstructure = StructureData(ase=si_ase)\n\n# Basic parameters\nparameters = orm.Dict({\n 'OPTION': {\n 'iquench': 0, # No optimization\n 'dt': 0.25, # Time step\n 'nstepf': 1, # Number of steps\n 'ifixcharges': 1, # Fix atomic charges\n },\n 'OUTPUT': {\n 'iwrtdos': 0, # Don't write DOS\n 'iwrtxyz': 1, # Write position trajectory\n }\n})\n\n# Submit calculation\nFireballCalculation = CalculationFactory('fireball')\ncalc_node = submit(FireballCalculation,\n code=orm.load_code('fireball@localhost'),\n structure=structure,\n parameters=parameters,\n kpoints=kpoints, # 4x4x4 mesh\n fdata_remote=fdata_remote,\n metadata={'options': {'resources': {'num_machines': 1}}}\n)\n\nprint(f\"Calculation submitted: PK={calc_node.pk}\")\n```\n\n# Submit calculation\ncalc_node = submit(FireballCalculation, **inputs)\nprint(f\"Calculation submitted: PK={calc_node.pk}\")\n```\n\n## Documentation\n\nFull documentation is available at [ReadTheDocs](https://aiida-fireball.readthedocs.io/).\n\n- [Installation Guide](https://aiida-fireball.readthedocs.io/en/latest/user_guide/get_started.html)\n- [Tutorial](https://aiida-fireball.readthedocs.io/en/latest/user_guide/tutorial.html)\n- [API Reference](https://aiida-fireball.readthedocs.io/en/latest/developer_guide/index.html)\n```\n\n### 3. Transport Calculations\n\n```python\n# Transport calculation with all optional files\ntransport_inputs = {\n 'code': code,\n 'structure': structure,\n 'kpoints': kpoints,\n 'fdata_remote': fdata_remote,\n 'parameters': orm.Dict(dict={\n 'OPTION': {\n 'iimage': 1, # single point calculation\n },\n 'OUTPUT': {\n 'iwrtpop': 1,\n }\n }),\n 'settings': orm.Dict(dict={\n 'TRANSPORT': {\n 'INTERACTION': {\n 'ncell1': 0,\n 'total_atoms1': 5,\n 'ninterval1': 1,\n 'intervals1': [[1, 5]],\n 'natoms_tip1': 2,\n 'atoms1': [1, 2],\n 'ncell2': 0,\n 'total_atoms2': 5,\n 'ninterval2': 1,\n 'intervals2': [[4, 5]],\n 'natoms_tip2': 2,\n 'atoms2': [4, 5]\n },\n 'ETA': {\n 'imag_part': 0.01,\n 'intervals': [[1, 2], [4, 5]]\n },\n 'TRANS': {\n 'ieta': True,\n 'iwrt_trans': True,\n 'ichannel': False,\n 'ifithop': 1,\n 'Ebottom': -2.0,\n 'Etop': 2.0,\n 'nsteps': 100,\n 'eta': 0.01\n },\n 'BIAS': {\n 'bias': 1.0,\n 'z_top': 10.0,\n 'z_bottom': 0.0\n }\n }\n }),\n 'metadata': {\n 'options': {\n 'resources': {'num_machines': 1},\n 'max_wallclock_seconds': 3600,\n }\n }\n}\n\ncalc_node = submit(FireballCalculation, **transport_inputs)\n```\n\n### 4. Advanced Parallel Calculations\n\nFor high-throughput surface calculations with charge state variations:\n\n```python\n# Generate W(110) surface with ASE\nfrom ase.build import bcc110\nslab = bcc110('W', size=(1,1,15), a=3.1652, vacuum=20.0)\nstructure = StructureData(ase=slab)\n\n# Submit parallel calculations for different charge states\nqstates = [0, 0.0078, 0.0156, 0.0233, 0.0311, 0.0389, 0.0467, 0.0545]\n\nfor q in qstates:\n params = {\n \"OPTION\": {\n \"nstepi\": 1, \"nstepf\": 5000, \"icluster\": 0,\n \"iquench\": -1, \"dt\": 0.25, \"qstate\": q\n },\n \"OUTPUT\": {\"iwrtxyz\": 0, \"iwrtdos\": 0}\n }\n \n builder = FireballCalculation.get_builder()\n builder.code = code\n builder.structure = structure\n builder.parameters = Dict(dict=params)\n builder.fdata_remote = fdata_remote\n builder.metadata.label = f\"W110_q{q}\"\n \n # HPC optimization\n builder.metadata.options.prepend_text = \"\"\"\n# Fix qstate formatting\nsed -i \"s/\\\\(qstate *= *\\\\)'\\\\([0-9.]*d0\\\\)'/\\\\1\\\\2/\" fireball.in\n\"\"\"\n \n calc = submit(builder)\n print(f\"qstate={q} \u2192 PK={calc.pk}\")\n```\n\nSee [`examples/submit_qstate_parallel.py`](examples/submit_qstate_parallel.py) for the complete example.\n\n## Documentation\n\nFull documentation is available at [ReadTheDocs](https://aiida-fireball.readthedocs.io/).\n\n- [Installation Guide](https://aiida-fireball.readthedocs.io/en/latest/user_guide/get_started.html)\n- [Tutorial](https://aiida-fireball.readthedocs.io/en/latest/user_guide/tutorial.html)\n- [API Reference](https://aiida-fireball.readthedocs.io/en/latest/developer_guide/index.html)\n\n## Examples\n\nSee the `examples/` directory for complete working examples:\n\n- `examples/basic_calculation.py` - Simple molecular calculation\n- `examples/transport_calculation.py` - Transport properties calculation\n- `examples/birch_murnaghan.py` - Equation of state workflow\n\n## Testing\n\n```bash\n# Run all tests\npytest\n\n# Run specific test\npytest tests/calculations/test_fireball.py\n\n# Run with coverage\npytest --cov=aiida_fireball --cov-report=html\n```\n\n## Contributing\n\nWe welcome contributions! Please see [CONTRIBUTING.md](CONTRIBUTING.md) for guidelines.\n\n### Development Setup\n\n```bash\ngit clone https://github.com/mamloukmohamed/aiida-fireball.git\ncd aiida-fireball\npip install -e .[dev]\npre-commit install\n```\n\n## License\n\nThis project is licensed under the MIT License - see the [LICENSE](LICENSE) file for details.\n\n## Citation\n\nIf you use this plugin in your research, please cite:\n\n```bibtex\n@misc{aiida_fireball,\n title={AiiDA Fireball Plugin},\n author={ValkScripter and mohamedmamlouk},\n year={2025},\n url={https://github.com/mohamedmamlouk/aiida-fireball},\n note={PyPI: https://pypi.org/project/aiida-fireball/}\n}\n```\n\n## Support & Resources\n\n<div align=\"center\">\n\n| Resource | Link |\n|----------|------|\n| **Documentation** | [aiida-fireball.readthedocs.io](https://aiida-fireball.readthedocs.io/) |\n| **Issues & Bugs** | [GitHub Issues](https://github.com/mohamedmamlouk/aiida-fireball/issues) |\n| **Discussions** | [GitHub Discussions](https://github.com/mohamedmamlouk/aiida-fireball/discussions) |\n| **PyPI Package** | [pypi.org/project/aiida-fireball](https://pypi.org/project/aiida-fireball/) |\n| **AiiDA Community** | [aiida.net](https://aiida.net/) |\n\n</div>\n\n---\n\n<div align=\"center\">\n\n**Contributors**\n\n<a href=\"https://github.com/ValkScripter\">\n <img src=\"https://img.shields.io/badge/ValkScripter-Developer-blue?style=flat-square&logo=github\" alt=\"ValkScripter\">\n</a>\n<a href=\"https://github.com/mohamedmamlouk\">\n <img src=\"https://img.shields.io/badge/mohamedmamlouk-Developer-blue?style=flat-square&logo=github\" alt=\"mohamedmamlouk\">\n</a>\n\n*If you find this project useful, please consider giving it a star \u2b50*\n\n</div>\n",
"bugtrack_url": null,
"license": "MIT License\n \n Copyright (c) 2024 Valk Scripter.\n \n Permission is hereby granted, free of charge, to any person obtaining a copy\n of this software and associated documentation files (the \"Software\"), to deal\n in the Software without restriction, including without limitation the rights\n to use, copy, modify, merge, publish, distribute, sublicense, and/or sell\n copies of the Software, and to permit persons to whom the Software is\n furnished to do so, subject to the following conditions:\n \n The above copyright notice and this permission notice shall be included in all\n copies or substantial portions of the Software.\n \n THE SOFTWARE IS PROVIDED \"AS IS\", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR\n IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,\n FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE\n AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER\n LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,\n OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE\n SOFTWARE.",
"summary": "AiiDA plugin for Fireball",
"version": "1.0.2",
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