Fails to install with pip. The source directory does not appear to contain CMakeLists.txt.

I just simply run pip install pyscf

cmake -SC:\Users\gengp\AppData\Local\Temp\pip-install-7om9cog0\pyscf_5f5696130a59493d91d549229efb7b2f\pyscf\lib -Bbuild\temp.win-amd64-3.9\Release CMake Error: The source directory "C:/Users/gengp/AppData/Local/Temp/pip-install-7om9cog0/pyscf_5f5696130a59493d91d549229efb7b2f/pyscf/lib" does not appear to contain CMakeLists.txt. Specify --help for usage, or press the help button on the CMake GUI.

My cmake version is 3.21.4

[jamesETsmith]

@AlexandreF-1qbit, you likely aren’t seeing this problem for those other Python versions because you aren’t building them from source and are just using the prebuilt wheels. For Python 3.10, there is no prebuilt wheel and when you pip install it builds from source. In your python 3.10 environment you could pip install using github with pip install git+https://github.com/pyscf/pyscf.

@sunqm or @fishjojo, what’s the process to add the CMakeLists.txt file to the sources tar file on pypi?

[hebrewsnabla]

(avisofes) C:\Users\hp\build>cmake … -DCMAKE_INSTALL_PREFIX=/C:\Users\hp\build CMake Warning: Ignoring extra path from command line:

“…”

CMake Error: The source directory “C:/Users/hp” does not appear to contain CMakeLists.txt. Specify --help for usage, or press the help button on the CMake GUI.

I am trying to run these commands… please help Building & Installing

One nice and highly recommended feature of CMake is the ability to do out of source builds. In this way you can make all your .o files, various temporary depend files, and even the binary executables without cluttering up your source tree. To use out of source builds, first create a build directory, then change into your build directory and run cmake pointing it to the source directory:

mkdir build && cd build cmake … -DCMAKE_INSTALL_PREFIX=/opt/local

https://github.com/CNES/aviso-fes/blob/main/INSTALL.md

Windows is not supported. See https://github.com/pyscf/pyscf/issues/1112#issuecomment-972498362