Python chemistry libraries for Q#.
Project description
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.
For details about the Quantum Chemistry Library, please see the Introduction to the Quantum Chemistry Library article in our online documentation.
Installing with Anaconda
If you use Anaconda or Miniconda, installing the qsharp package will automatically include all dependencies:
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:
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:
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.
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