george
August 31, 2020, 8:28am
1
Hi - I don’t seem to be able to install the qchem module on a windows machine. Have you seen this error before?
George
Seems like the problem comes from pyscf . Likely it is because it is trying to use a Linux environment variable, LD_LIBRARY_PATH , inside windows. You can read more about this issue here:
opened 11:59PM - 26 Mar 19 UTC
I'm attempting to install pyscf on Windows using `pip install pyscf`. However I … keep getting this error:
``` Complete output from command python setup.py egg_info:
Traceback (most recent call last):
File "<string>", line 1, in <module>
File "C:\Users\CH\AppData\Local\Temp\pip-install-9rhdyw91\pyscf\setup.py", line 199, in <module>
for x in blas_libraries]
File "C:\Users\CH\AppData\Local\Temp\pip-install-9rhdyw91\pyscf\setup.py", line 199, in <listcomp>
for x in blas_libraries]
File "C:\Users\CH\AppData\Local\Temp\pip-install-9rhdyw91\pyscf\setup.py", line 140, in search_lib_path
paths = os.environ.get(LD_LIBRARY_PATH, '').split(os.pathsep)
NameError: name 'LD_LIBRARY_PATH' is not defined
```
I tried setting both User and System variables for `LD_LIBRARY_PATH` to the directory where my `mkl_rt.dll` file is, although maybe this is not correct.
I was going to install using conda, but there aren't any packages available for Windows. Is it even possible to install pyscf in windows using pip? How would I go about fixing this?
Python version: 3.6.8
They suggest to use Windows subsystem for Linux to get around this difficulty since they do not officially support the former OS.
Hope his helps,
Nicolas
