library load failed after install

[zhcui]

Hi all,

I followed the installation (for my locally installed pyscf) in the README.
However, an error occurred:

Traceback (most recent call last):
  File "hChain.py", line 3, in <module>
    from pyscf.shciscf import shci
  File "/home/zhcui/program/shciscf/pyscf/shciscf/shci.py", line 64, in <module>
    shciLib = load_library("libshciscf")
  File "/home/zhcui/program/pyscf_ZHC_kpt_symm/pyscf/lib/misc.py", line 53, in load_library
    return numpy.ctypeslib.load_library(libname, _loaderpath)
  File "/home/zhcui/program/anaconda3_new/lib/python3.8/site-packages/numpy/ctypeslib.py", line 155, in load_library
    raise OSError("no file with expected extension")
OSError: no file with expected extension

Could you take a look? Thanks!

Best,
Zhihao

[sunqm]

Where was the pyscf core module installed? Do you find libshci.so under /home/zhcui/program/shciscf/pyscf/lib ?

[jiangtong1000]

Hi, I met this issue too. There is no .so file in both /path-to/shciscf/pyscf/lib and /path-to/shciscf/pyscf/shciscf.

[jiangtong1000]

worked around it by cp ~/.local/lib/python3.8/site-packages/pyscf/lib/libshciscf.so /path-to/pyscf/pyscf/lib/