Metadata-Version: 2.4
Name: unitarylab-chemistry
Version: 0.1.1
Summary: Molecular electronic-structure and DMRG workflows for UnitaryLab.
Author: UnitaryLab
License-Expression: LicenseRef-UnitaryLab-LICENSE
Requires-Python: <3.13,>=3.10
Description-Content-Type: text/markdown
License-File: LICENSE.zh-CN
License-File: LICENSE.en
Requires-Dist: unitarylab>=1.4
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: physics-tenpy
Requires-Dist: pyscf
Requires-Dist: openfermion
Requires-Dist: openfermionpyscf
Dynamic: license-file

# unitarylab-chemistry

Molecular electronic-structure, DMRG, circuit variational decomposition, and
measurement workflows for UnitaryLab.

The PyPI distribution name is `unitarylab-chemistry`; the Python import package
is `unitarylab_chemistry`.

## Supported environment

- CPython 3.10, 3.11, and 3.12
- `unitarylab` 1.4 or later

## Install

Install through the UnitaryLab optional extra:

```bash
python -m pip install "unitarylab[chemistry]"
```

## Synchronize sources from main

Keep release-specific packaging files on this branch and synchronize only the
shared Chemistry source directory:

```bash
git switch release/chemistry
git fetch origin main
git restore --source origin/main -- unitarylab_chemistry
git diff
git add unitarylab_chemistry
git commit -m "sync: update chemistry sources from main"
```

Do not merge `main` into this branch; doing so would restore the complete
UnitaryLab source tree.

## 中文说明

`unitarylab-chemistry` 是 UnitaryLab 的独立分子化学工作流发行包，Python
导入名为 `unitarylab_chemistry`。推荐通过以下命令安装：

```bash
python -m pip install "unitarylab[chemistry]"
```
