Trying to run the Tuturial on chemistry resource estimator

Aikaterini Gratsea 30

I am trying to run the turotial https://learn.microsoft.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 26,131 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 30

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 26,131 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 26,131 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 30 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!
kobulloc-MSFT 26,131 Reputation points Microsoft Employee

2024-07-08T18:33:56.2666667+00:00

No worries, @Aikaterini Gratsea !

To do an uninstall, the command is slightly different (which may be a pasting/editor issue):

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

After that is completed, you would install the Azure Quantum Development Kit extension again.
kobulloc-MSFT 26,131 Reputation points Microsoft Employee

2024-07-09T22:11:19.46+00:00

Hello, @Aikaterini Gratsea !

Hopefully the fresh install has worked out for you. If not, please let me know in the comments so we can continue to troubleshoot this. I'm going to summarize what we've done so far in an answer below.
Aikaterini Gratsea 30 Reputation points

2024-07-10T20:16:01.5533333+00:00

hey @kobulloc-MSFT yes that worked, thanks!
kobulloc-MSFT 26,131 Reputation points Microsoft Employee

2024-07-10T22:08:50.7233333+00:00

No worries, @Aikaterini Gratsea ! If you get a moment, please consider accepting an answer as your feedback is important.

If you still have questions, please let us know what is needed in the comments so the question can be answered. Thank you for helping to improve Microsoft Q&A!

Accepted answer

kobulloc-MSFT 26,131 Reputation points Microsoft Employee

2024-07-09T22:29:09.54+00:00
Hello, @Aikaterini Gratsea !

Why am I running into errors while attempting to run Tutorial: Estimate the resources of a quantum chemistry problem?

Example error: IQ# is not installed.

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.

You can perform a clean install of the QDK on VS Code by doing the following:

https://learn.microsoft.com/en-us/azure/quantum/install-overview-qdk#installing-the-qdk-on-vs-code

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.

Note that step 2 will uninstall any legacy packages. In combination with step 1, this will give you a clean install with the latest versions.

If you are still running into issues after completing this, let us know in the comments so we can figure out why the uninstall isn't working correctly.

I hope this has been helpful! Your feedback is important so please take a moment to accept answers.

If you still have questions, please let us know what is needed in the comments so the question can be answered. Thank you for helping to improve Microsoft Q&A!
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