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Unable to install DIG on windows due to pyscf #246

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LIAOJUNJIE-OBJ opened this issue Jun 7, 2024 · 0 comments
Open

Unable to install DIG on windows due to pyscf #246

LIAOJUNJIE-OBJ opened this issue Jun 7, 2024 · 0 comments

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@LIAOJUNJIE-OBJ
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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\pyscf_0ef0f557eb9c4730924924e64be3985d\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

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