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qiskit-community / prototype-entanglement-forging

A module for simulating chemical and physical systems using a Variational Quantum Eigensolver (VQE) enhanced by Entanglement Forging.
https://journals.aps.org/prxquantum/abstract/10.1103/PRXQuantum.3.010309
Apache License 2.0
29 stars 10 forks source link

Pinned version of pyscf is broken #60

Open kevinsung opened 11 months ago

kevinsung commented 11 months ago

Describe the bug It fails to install.

To Reproduce

  1. Clone this repo
  2. pip install -e .
...
Building wheels for collected packages: pyscf
  Building wheel for pyscf (setup.py) ... error
  error: subprocess-exited-with-error

  × python setup.py bdist_wheel did not run successfully.
  │ exit code: 1
  ╰─> [7 lines of output]
      running bdist_wheel
      running build
      running build_ext
      cmake -S/tmp/pip-install-_irpoc6i/pyscf_38d39720820e4357b00d91660707e3f0/pyscf/lib -Bbuild/temp.linux-x86_64-cpython-310
      CMake Error: The source directory "/tmp/pip-install-_irpoc6i/pyscf_38d39720820e4357b00d91660707e3f0/pyscf/lib" does not appear to contain CMakeLists.txt.
      Specify --help for usage, or press the help button on the CMake GUI.
      error: command '/usr/bin/cmake' failed with exit code 1
      [end of output]

  note: This error originates from a subprocess, and is likely not a problem with pip.
  ERROR: Failed building wheel for pyscf
  Running setup.py clean for pyscf
Failed to build pyscf
ERROR: Could not build wheels for pyscf, which is required to install pyproject.toml-based projects

Expected behavior Should install

Additional context

Any suggestions? Update the pySCF version.

caleb-johnson commented 11 months ago

Describe the bug It fails to install.

To Reproduce

  1. Clone this repo
  2. pip install -e .
...
Building wheels for collected packages: pyscf
  Building wheel for pyscf (setup.py) ... error
  error: subprocess-exited-with-error

  × python setup.py bdist_wheel did not run successfully.
  │ exit code: 1
  ╰─> [7 lines of output]
      running bdist_wheel
      running build
      running build_ext
      cmake -S/tmp/pip-install-_irpoc6i/pyscf_38d39720820e4357b00d91660707e3f0/pyscf/lib -Bbuild/temp.linux-x86_64-cpython-310
      CMake Error: The source directory "/tmp/pip-install-_irpoc6i/pyscf_38d39720820e4357b00d91660707e3f0/pyscf/lib" does not appear to contain CMakeLists.txt.
      Specify --help for usage, or press the help button on the CMake GUI.
      error: command '/usr/bin/cmake' failed with exit code 1
      [end of output]

  note: This error originates from a subprocess, and is likely not a problem with pip.
  ERROR: Failed building wheel for pyscf
  Running setup.py clean for pyscf
Failed to build pyscf
ERROR: Could not build wheels for pyscf, which is required to install pyproject.toml-based projects

Expected behavior Should install

Additional context

Any suggestions? Update the pySCF version.

Hi Kevin, have you tried out the entanglement forging implementation in the circuit knitting toolbox? This repository will likely be deprecated once the new changes to the Estimator are available (circuit broadcasting with observable grouping).

kevinsung commented 11 months ago

Ok thanks I'll try that.