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qiskit-community / qiskit-aqua

Quantum Algorithms & Applications (**DEPRECATED** since April 2021 - see readme for more info)
https://qiskit.org/aqua
Apache License 2.0
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Quantum chemistry drivers installation #790

Closed TheFirstBestBoss closed 4 years ago

TheFirstBestBoss commented 4 years ago

Informations

What is the current behavior?

The problem is that I want to install the quantum chemistry drivers required to execute the Jupyters Notebooks but I am not available because this webpage (https://qiskit.org/documentation/aqua/chemistry/qiskit_chemistry_drivers.html) does not work.

Could you please tell me how to install the drivers please?

Steps to reproduce the problem

What is the expected behavior?

Suggested solutions

woodsp-ibm commented 4 years ago

What platform are you using - you did not say. If its MacOS or Linux, PySCF should be installed by default and you can use that. If you are using Windows then PyQuante can be used unless you have access to the commerciial Gaussian 16 product. Most of the notebooks are done using PySCF, though there are a couple in community chemistry tutorials that use PyQuante. Which driver are you interested in installing? Documentation is being re-worked to be based in the code and built out using Sphinx. This is still work in progress and the online documentation has yet to be updated. Here are some links in to the text which would be better when formatted but I think can be read ok like it is

  1. Gaussian 16™, a commercial chemistry program
  2. PSI4, a chemistry program that exposes a Python interface allowing for accessing internal objects
  3. PySCF, an open-source Python chemistry program
  4. PyQuante, a pure cross-platform open-source Python chemistry program
TheFirstBestBoss commented 4 years ago

Hello,

Thank you very much for your information.

I will take a look at it and come back to you in case any further question arises.

Kind reagards,

Alberto

woodsp-ibm commented 4 years ago

@TheFirstBestBoss Did the above help? If so can this be closed? For further questions etc in the future you can always join the public Slack workspace and ask questions and search if it might already have been asked etc. There is an aqua channel there for discussion/questions etc around aqua.