9_NumPy

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NumPy module

In Psi4, NumPy performs array manipulations in the Python driver.

Notes

• Dependency Status: Required

• ##### How to fix error ImportError: No module named numpy

  NumPy is not a build requirement for Psi4, so there's no need to specify it in setup or CMake configuration. NumPy is a runtime requirement for Psi4, though, so install it through whatever package manager you prefer. It should be available through import numpy from whatever python interpreter has been embedded into Psi4.

• Packages to install for specific OS or package managers:

  • Conda numpy (conda install numpy)
  • Fedora numpy (sudo yum install numpy)
  • Ubuntu python-numpy (sudo apt-get install python-numpy)

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