divelab / DIG

A library for graph deep learning research
https://diveintographs.readthedocs.io/
GNU General Public License v3.0
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Unable to install DIG on windows due to pyscf #246

Open LIAOJUNJIE-OBJ opened 1 month ago

LIAOJUNJIE-OBJ commented 1 month ago

Building wheels for collected packages: pyscf Building wheel for pyscf (pyproject.toml) ... error error: subprocess-exited-with-error

× Building wheel for pyscf (pyproject.toml) did not run successfully. │ exit code: 1 ╰─> [36 lines of output] running bdist_wheel running build running build_py cmake -SC:\Users\10727\AppData\Local\Temp\pip-install-xi_xvlfe\pyscf0ef0f557eb9c4730924924e64be3985d\pyscf\lib -Bbuild\temp.win-amd64 -- Building for: Visual Studio 15 2017 -- Selecting Windows SDK version 10.0.17763.0 to target Windows 10.0.22000. -- The C compiler identification is MSVC 19.16.27048.0 -- The CXX compiler identification is MSVC 19.16.27048.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: D:/Software/VS2017/Enterprise/VC/Tools/MSVC/14.16.27023/bin/Hostx86/x86/cl.exe - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: D:/Software/VS2017/Enterprise/VC/Tools/MSVC/14.16.27023/bin/Hostx86/x86/cl.exe - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Looking for sgemm -- Looking for sgemm_ - not found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed -- Looking for pthread_create in pthreads -- Looking for pthread_create in pthreads - not found -- Looking for pthread_create in pthread -- Looking for pthread_create in pthread - not found -- Found Threads: TRUE -- Could NOT find BLAS (missing: BLAS_LIBRARIES) -- Looking for ffsll -- Looking for ffsll - not found CMake Error at CMakeLists.txt:76 (message): A required library with BLAS API not found.

  -- Configuring incomplete, errors occurred!
  error: command 'C:\\Users\\10727\\AppData\\Local\\Temp\\pip-build-env-q3wj_zle\\overlay\\Scripts\\cmake.exe' failed with exit code 1
  [end of output]

note: This error originates from a subprocess, and is likely not a problem with pip. ERROR: Failed building wheel for pyscf Failed to build pyscf ERROR: Could not build wheels for pyscf, which is required to install pyproject.toml-based projects