Trying to run the Tuturial on chemistry resource estimator

Aikaterini Gratsea 0

I am trying to run the turotial https://video2.skills-academy.com/en-us/azure/quantum/tutorial-resource-estimator-chemistry, but when I follow the instructions there I get the error

IQ# is not installed.

Please follow the instructions at https://aka.ms/qdk-install/python.

Then, I follow the instructions on the link above, but seem to be opposite to what the tutorial suggests. For example, in the link above it is mentioned to do

python -m pip uninstall qsharp qsharp-core qsharp-chemistry azure-quantum

while in the tutorial it is mentioned to do

python -m pip install --upgrade qsharp numpy scipy.

Could you please how to procceed?

Thanks!

kobulloc-MSFT 25,961 Reputation points Microsoft Employee

2024-07-03T15:53:41.27+00:00
Hello, @Aikaterini Gratsea !

It looks like the documentation wants to avoid conflicts with the package version on VS Code so there is an uninstall and then a fresh install of the Azure Quantum Development Kit extension which has built in Q# support. Did you complete all 4 steps prior to running the pip install for the chemistry tutorial?

In VS Code, disable or uninstall the Microsoft Quantum Development Kit extension.

Run python -m pip uninstall qsharp qsharp-core qsharp-chemistry azure-quantum

If needed, install the latest version of VS Code or open VS Code on the Web.

Install the Azure Quantum Development Kit extension.

Aikaterini Gratsea 0

Thanks @kobulloc-MSFT for your prompt reply. Yes, I have been followed the steps, but I still get the same error. Here is a full version of the error. Any other ideas on what might go wrong?

IQ# is not installed.
Please follow the instructions at https://aka.ms/qdk-install/python.
Traceback (most recent call last):
  File "/home/kgratsea/anaconda3/envs/Aquantum_py3.11/lib/python3.11/site-packages/qsharp/clients/__init__.py", line 40, in _start_client
    client.start()
  File "/home/kgratsea/anaconda3/envs/Aquantum_py3.11/lib/python3.11/site-packages/qsharp/clients/iqsharp.py", line 98, in start
    self.kernel_manager.start_kernel(env=env)
  File "/home/kgratsea/anaconda3/envs/Aquantum_py3.11/lib/python3.11/site-packages/jupyter_core/utils/__init__.py", line 165, in wrapped
    return loop.run_until_complete(inner)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/kgratsea/anaconda3/envs/Aquantum_py3.11/lib/python3.11/asyncio/base_events.py", line 650, in run_until_complete
    return future.result()
           ^^^^^^^^^^^^^^^
  File "/home/kgratsea/anaconda3/envs/Aquantum_py3.11/lib/python3.11/site-packages/jupyter_client/manager.py", line 96, in wrapper
    raise e
  File "/home/kgratsea/anaconda3/envs/Aquantum_py3.11/lib/python3.11/site-packages/jupyter_client/manager.py", line 87, in wrapper
    out = await method(self, *args, **kwargs)
          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/kgratsea/anaconda3/envs/Aquantum_py3.11/lib/python3.11/site-packages/jupyter_client/manager.py", line 435, in _async_start_kernel
    kernel_cmd, kw = await self._async_pre_start_kernel(**kw)
                     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/kgratsea/anaconda3/envs/Aquantum_py3.11/lib/python3.11/site-packages/jupyter_client/manager.py", line 397, in _async_pre_start_kernel
    self.kernel_spec,
    ^^^^^^^^^^^^^^^^
  File "/home/kgratsea/anaconda3/envs/Aquantum_py3.11/lib/python3.11/site-packages/jupyter_client/manager.py", line 195, in kernel_spec
    self._kernel_spec = self.kernel_spec_manager.get_kernel_spec(self.kernel_name)
                        ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/kgratsea/anaconda3/envs/Aquantum_py3.11/lib/python3.11/site-packages/jupyter_client/kernelspec.py", line 285, in get_kernel_spec
    raise NoSuchKernel(kernel_name)
jupyter_client.kernelspec.NoSuchKernel: No such kernel named iqsharp

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "/home/kgratsea/qsharp_microsoft/samples/estimation/df-chemistry/chemistry.py", line 7, in <module>
    import qsharp
  File "/home/kgratsea/anaconda3/envs/Aquantum_py3.11/lib/python3.11/site-packages/qsharp/__init__.py", line 202, in <module>
    client = _start_client()
             ^^^^^^^^^^^^^^^
  File "/home/kgratsea/anaconda3/envs/Aquantum_py3.11/lib/python3.11/site-packages/qsharp/clients/__init__.py", line 45, in _start_client
    raise IQSharpNotInstalledError(message)
qsharp.clients.IQSharpNotInstalledError: IQ# is not installed.
Please follow the instructions at https://aka.ms/qdk-install/python.

kobulloc-MSFT 25,961 Reputation points Microsoft Employee

2024-07-05T00:14:52.28+00:00

No worries, @Aikaterini Gratsea ! I'll give you an update after I take a closer look at this.
kobulloc-MSFT 25,961 Reputation points Microsoft Employee

2024-07-05T18:45:53.5733333+00:00

Hello, @Aikaterini Gratsea !

IQ# was a legacy Jupyter/python support engine that was deprecated last January. You will need to remove any legacy qsharp-core and qsharp-chemistry packages that have been installed.
Aikaterini Gratsea 0 Reputation points

2024-07-07T13:33:10.6366667+00:00
Great, thanks @kobulloc-MSFT for having a look on that. I did

pip uninstall qsharp-core qsharp-chemistry

and now when I run the chemistry.py I get the following error

Traceback (most recent call last): File "/home/kgratsea/qsharp_microsoft/samples/estimation/df-chemistry/chemistry.py", line 462, in <module> qsharp.init(project_root=".") ^^^^^^^^^^^ AttributeError: module 'qsharp' has no attribute 'init'

The qsharp version is up to date (qsharp 0.28.302812 ). Any suggestions now? Thanks!

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Trying to run the Tuturial on chemistry resource estimator

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