Installing Pennylane-qchem (win10) : LD_LIBRARY_PATH Error

I’m installing penny-lane-qchem in a win10 box and am getting a error due to the install script looking for a LINUX type system variable: LD_LIBRARY_PATH.

If there is a fix for this - I’d be grateful.

Here is the relevant part of the error msg:

Collecting pyscf
Using cached https://files.pythonhosted.org/packages/03/d8/9b87b601517bc51825ef55433b6404805b1d906ebea7a6d38e6f7a0
ERROR: Command errored out with exit status 1:
command: ‘c:\users\versaggi\qcousins\scripts\python.exe’ -c ‘import sys, setuptools, tokenize; sys.argv[0] = ‘"
:\Users\versaggi\AppData\Local\Temp\pip-install-nfsspi4r\pyscf\setup.py’"’"’;f=getattr(tokenize, ‘"’"‘open’"
ile__, ‘"’"‘exec’"’"’))’ egg_info --egg-base 'C:\Users\versaggi\AppData\Local\Temp\pip-install-nfsspi4r\pyscf\pip-eg
cwd: C:\Users\versaggi\AppData\Local\Temp\pip-install-nfsspi4r\pyscf
Complete output (9 lines):
Traceback (most recent call last):
File “”, line 1, in
File “C:\Users\versaggi\AppData\Local\Temp\pip-install-nfsspi4r\pyscf\setup.py”, line 207, in
for x in blas_libraries]
File “C:\Users\versaggi\AppData\Local\Temp\pip-install-nfsspi4r\pyscf\setup.py”, line 207, in
for x in blas_libraries]
File “C:\Users\versaggi\AppData\Local\Temp\pip-install-nfsspi4r\pyscf\setup.py”, line 148, in search_lib_path
paths = os.environ.get(LD_LIBRARY_PATH, ‘’).split(os.pathsep)
NameError: name ‘LD_LIBRARY_PATH’ is not defined
----------------------------------------
ERROR: Command errored out with exit status 1: python setup.py egg_info Check the logs for full command output.

Hi @ProfVersaggi, welcome and thank you so much for your question! :blush:

It seems, unfortunately, that Windows 10 is not among the supported platforms for pyscf which is a required package for PennyLane-Qchem (further details can be found at this GitHub issue).

Solutions to this problem on Windows 10 could be (including the suggestions from the linked issue):

  • Using the Windows Subsystem for Linux (WSL)
  • Using a virtual machine (VM) that emulates a compatible Linux system
  • Using a Docker container that runs a compatible Linux distribution

Feel free to let us know if we can further help with any of these approaches!

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