Why pySCF is not supported on Windows? #2660
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I am new to this. Got into quantum chemistry simulation where I needed pySCF but found out that it is impossible. I first installed cmake as a perquisite but showed error for BLAS API which I couldn't find a way to install (if possible kindly mention how). I guess my solution will be use a VM for linux. If I use WSL (Windows Subsystem for Linux), install pyscf in it, run code editor from it and use other libraries (python, qiskit) from windows, will it work? |
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Replies: 2 comments
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Hi Bronze7, thank you for your interest in using PySCF. Yes, it is recommended to install WSL provided by the Windows App shop, and then install PySCF as you would do on a Linux system. I am actually also using PySCF on a Windows 11 system! Hope this helps! |
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Thank you for replying. Do I have to install all the python libraries and use the code files in linux sub system while the code editor runs in windows? |
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Hi Bronze7, thank you for your interest in using PySCF.
Yes, it is recommended to install WSL provided by the Windows App shop, and then install PySCF as you would do on a Linux system. I am actually also using PySCF on a Windows 11 system!
Hope this helps!
Chong