# Q# Chemistry Library for Python #
The `qsharp-chemistry` package for Python provides interoperability with Microsoft Quantum Development Kit's Chemistry Library.
For details on how to get started with Python and Q#, please see the [Getting Started with Python guide](https://docs.microsoft.com/azure/quantum/install-python-qdk).
For details about the Quantum Chemistry Library, please see the [Introduction to the Quantum Chemistry Library article](https://docs.microsoft.com/azure/quantum/user-guide/libraries/chemistry/) in our online documentation.
You can also try our [Quantum Computing Fundamentals](https://aka.ms/learnqc) learning path to get familiar with the basic concepts of quantum computing, build quantum programs, and identify the kind of problems that can be solved.
## Installing with Anaconda ##
If you use Anaconda or Miniconda, installing the `qsharp` package will automatically include all dependencies:
```bash
conda install -c quantum-engineering qsharp
```
## Installing from Source ##
If you'd like to contribute to or experiment with the Python interoperability feature, it may be useful to install from source rather than from the `qsharp-chemistry` package on the Python Package Index (PyPI).
To do so, make sure that you are in the `Python/qsharp-chemistry` directory, and run `setup.py` with the `install` argument:
```bash
cd Python/qsharp-chemistry
python setup.py install
```
## Building the `qsharp-chemistry` Package ##
The Python interoperability feature uses a standard `setuptools`-based packaging strategy.
To build a platform-independent wheel, run the setup script with `bdist_wheel` instead:
```bash
cd Python/qsharp-chemistry
python setup.py bdist_wheel
```
By default, this will create a `qsharp-chemistry` wheel in `dist/` with the version number set to 0.0.0.1.
To provide a more useful version number, set the `PYTHON_VERSION` environment variable before running `setup.py`.
## Support and Q&A
If you have questions about the Quantum Development Kit and the Q# language, or if you encounter issues while using any of the components of the kit, you can reach out to the quantum team and the community of users in [Stack Overflow](https://stackoverflow.com/questions/tagged/q%23) and in [Quantum Computing Stack Exchange](https://quantumcomputing.stackexchange.com/questions/tagged/q%23) tagging your questions with **q#**.
Raw data
{
"_id": null,
"home_page": "https://github.com/microsoft/QuantumLibraries",
"name": "qsharp-chemistry",
"maintainer": "",
"docs_url": null,
"requires_python": "",
"maintainer_email": "",
"keywords": "",
"author": "Microsoft",
"author_email": "que-contacts@microsoft.com",
"download_url": "https://files.pythonhosted.org/packages/84/12/05e6699385482f0ba9aad8f1d79f3a5cf4e66c694f788b5da3c6597cc003/qsharp-chemistry-0.28.302812.tar.gz",
"platform": null,
"description": "# Q# Chemistry Library for Python #\r\n\r\nThe `qsharp-chemistry` package for Python provides interoperability with Microsoft Quantum Development Kit's Chemistry Library.\r\n\r\nFor details on how to get started with Python and Q#, please see the [Getting Started with Python guide](https://docs.microsoft.com/azure/quantum/install-python-qdk).\r\n\r\nFor details about the Quantum Chemistry Library, please see the [Introduction to the Quantum Chemistry Library article](https://docs.microsoft.com/azure/quantum/user-guide/libraries/chemistry/) in our online documentation.\r\n\r\nYou can also try our [Quantum Computing Fundamentals](https://aka.ms/learnqc) learning path to get familiar with the basic concepts of quantum computing, build quantum programs, and identify the kind of problems that can be solved.\r\n\r\n## Installing with Anaconda ##\r\n\r\nIf you use Anaconda or Miniconda, installing the `qsharp` package will automatically include all dependencies:\r\n\r\n```bash\r\nconda install -c quantum-engineering qsharp\r\n```\r\n\r\n## Installing from Source ##\r\n\r\nIf you'd like to contribute to or experiment with the Python interoperability feature, it may be useful to install from source rather than from the `qsharp-chemistry` package on the Python Package Index (PyPI).\r\nTo do so, make sure that you are in the `Python/qsharp-chemistry` directory, and run `setup.py` with the `install` argument:\r\n\r\n```bash\r\ncd Python/qsharp-chemistry\r\npython setup.py install\r\n```\r\n\r\n## Building the `qsharp-chemistry` Package ##\r\n\r\nThe Python interoperability feature uses a standard `setuptools`-based packaging strategy.\r\nTo build a platform-independent wheel, run the setup script with `bdist_wheel` instead:\r\n\r\n```bash\r\ncd Python/qsharp-chemistry\r\npython setup.py bdist_wheel\r\n```\r\n\r\nBy default, this will create a `qsharp-chemistry` wheel in `dist/` with the version number set to 0.0.0.1.\r\nTo provide a more useful version number, set the `PYTHON_VERSION` environment variable before running `setup.py`.\r\n\r\n## Support and Q&A\r\n\r\nIf you have questions about the Quantum Development Kit and the Q# language, or if you encounter issues while using any of the components of the kit, you can reach out to the quantum team and the community of users in [Stack Overflow](https://stackoverflow.com/questions/tagged/q%23) and in [Quantum Computing Stack Exchange](https://quantumcomputing.stackexchange.com/questions/tagged/q%23) tagging your questions with **q#**.\r\n\r\n\r\n",
"bugtrack_url": null,
"license": "",
"summary": "Python chemistry libraries for Q#.",
"version": "0.28.302812",
"project_urls": {
"Homepage": "https://github.com/microsoft/QuantumLibraries"
},
"split_keywords": [],
"urls": [
{
"comment_text": "",
"digests": {
"blake2b_256": "46f602246706bfac09d87fd14fc86a71d00db901db8497f301c4fb234f1f2918",
"md5": "f98a4d9647faf53f3d65261549f48f19",
"sha256": "855b1e118d731fad51db3d96b6eb293f3bb3ab8bb0a5f1d7d1e6ea876a163535"
},
"downloads": -1,
"filename": "qsharp_chemistry-0.28.302812-py3-none-any.whl",
"has_sig": false,
"md5_digest": "f98a4d9647faf53f3d65261549f48f19",
"packagetype": "bdist_wheel",
"python_version": "py3",
"requires_python": null,
"size": 5560,
"upload_time": "2023-09-15T15:32:25",
"upload_time_iso_8601": "2023-09-15T15:32:25.555360Z",
"url": "https://files.pythonhosted.org/packages/46/f6/02246706bfac09d87fd14fc86a71d00db901db8497f301c4fb234f1f2918/qsharp_chemistry-0.28.302812-py3-none-any.whl",
"yanked": false,
"yanked_reason": null
},
{
"comment_text": "",
"digests": {
"blake2b_256": "841205e6699385482f0ba9aad8f1d79f3a5cf4e66c694f788b5da3c6597cc003",
"md5": "961fba64f005fbc97bcd0a94f1d690ae",
"sha256": "44bf757ebec2550140391dbfd44784f869a56b8939d7755cc769449cb99025e4"
},
"downloads": -1,
"filename": "qsharp-chemistry-0.28.302812.tar.gz",
"has_sig": false,
"md5_digest": "961fba64f005fbc97bcd0a94f1d690ae",
"packagetype": "sdist",
"python_version": "source",
"requires_python": null,
"size": 5230,
"upload_time": "2023-09-15T15:32:35",
"upload_time_iso_8601": "2023-09-15T15:32:35.205745Z",
"url": "https://files.pythonhosted.org/packages/84/12/05e6699385482f0ba9aad8f1d79f3a5cf4e66c694f788b5da3c6597cc003/qsharp-chemistry-0.28.302812.tar.gz",
"yanked": false,
"yanked_reason": null
}
],
"upload_time": "2023-09-15 15:32:35",
"github": true,
"gitlab": false,
"bitbucket": false,
"codeberg": false,
"github_user": "microsoft",
"github_project": "QuantumLibraries",
"travis_ci": false,
"coveralls": false,
"github_actions": true,
"lcname": "qsharp-chemistry"
}
JSON
