Metadata-Version: 2.1
Name: dcaspt2_input_generator
Version: 0.2.0
Summary: This is a GUI tool for supporting the generation of input files for DIRAC_CASPT2 calculation.
Project-URL: Documentation, https://github.com/RQC-HU/dcaspt2_input_generator#readme
Project-URL: Issues, https://github.com/RQC-HU/dcaspt2_input_generator/issues
Project-URL: Source, https://github.com/RQC-HU/dcaspt2_input_generator
Author-email: Kohei Noda <kohei-noda@hiroshima-u.ac.jp>
License-Expression: Apache-2.0
License-File: LICENSE
Classifier: Development Status :: 4 - Beta
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: Implementation :: CPython
Classifier: Programming Language :: Python :: Implementation :: PyPy
Requires-Python: >=3.7
Requires-Dist: pyqt5
Requires-Dist: qtpy
Requires-Dist: sum-dirac-dfcoef>=4.2.0
Provides-Extra: dev
Requires-Dist: black>=23.1.0; extra == 'dev'
Requires-Dist: coverage[toml]>=6.5; extra == 'dev'
Requires-Dist: mypy>=1.0.0; extra == 'dev'
Requires-Dist: pytest; extra == 'dev'
Requires-Dist: ruff>=0.0.243; extra == 'dev'
Provides-Extra: test
Requires-Dist: coverage[toml]>=6.5; extra == 'test'
Requires-Dist: pytest; extra == 'test'
Description-Content-Type: text/markdown

# dcaspt2_input_generator

## Description

- This is a GUI tool for supporting the generation of input files for DIRAC_CASPT2 calculation.

## Prerequisites

- Python 3.7 or later
- pip

## Install

```bash
pip install dcaspt2_input_generator
```

## Usage

```bash
dcaspt2_input_generator
```
 or
```bash
python -m dcaspt2_input_generator
```

For more information, please see the [wiki](https://github.com/RQC-HU/dcaspt2_input_generator/wiki).

## LICENSE

- Apache LICENSE 2.0

## Author

- Kohei Noda
