qmctoolscl fails to install on Windows

[mbaudin47]

Hi !
I tried to install qmctoolscl using Pip on a Windows system I got this error message:

C:\Users\username>pip install qmctoolscl
Looking in indexes: https://nexus.retd.edf.fr/repository/pypi-all/simple
Collecting qmctoolscl
  Using cached https://nexus.retd.edf.fr/repository/pypi-all/packages/qmctoolscl/1.1.5/qmctoolscl-1.1.5.tar.gz (25 kB)
  Preparing metadata (setup.py) ... done
Requirement already satisfied: numpy>=1.17.0 in c:\users\username\appdata\local\miniforge3\envs\erreur_ponctuelle_pce\lib\site-packages (from qmctoolscl) (2.2.6)
Installing collected packages: qmctoolscl
  DEPRECATION: qmctoolscl is being installed using the legacy 'setup.py install' method, because it does not have a 'pyproject.toml' and the 'wheel' package is not installed. pip 23.1 will enforce this behaviour change. A possible replacement is to enable the '--use-pep517' option. Discussion can be found at https://github.com/pypa/pip/issues/8559
  Running setup.py install for qmctoolscl ... error
  error: subprocess-exited-with-error

  × Running setup.py install for qmctoolscl did not run successfully.
  │ exit code: 1
  ╰─> [129 lines of output]
      running install
      C:\Users\username\AppData\Local\miniforge3\envs\erreur_ponctuelle_PCE\lib\site-packages\setuptools\command\install.py:34: SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools.
        warnings.warn(
      running build
      running build_py
      creating build
      creating build\lib.win-amd64-cpython-310
      creating build\lib.win-amd64-cpython-310\qmctoolscl
      copying qmctoolscl\c_funcs.py -> build\lib.win-amd64-cpython-310\qmctoolscl
      copying qmctoolscl\rand_funcs.py -> build\lib.win-amd64-cpython-310\qmctoolscl
      copying qmctoolscl\util.py -> build\lib.win-amd64-cpython-310\qmctoolscl
      copying qmctoolscl\wrapped_funcs.py -> build\lib.win-amd64-cpython-310\qmctoolscl
      copying qmctoolscl\__init__.py -> build\lib.win-amd64-cpython-310\qmctoolscl
      running egg_info
      writing qmctoolscl.egg-info\PKG-INFO
      writing dependency_links to qmctoolscl.egg-info\dependency_links.txt
      writing requirements to qmctoolscl.egg-info\requires.txt
      writing top-level names to qmctoolscl.egg-info\top_level.txt
      reading manifest file 'qmctoolscl.egg-info\SOURCES.txt'
      reading manifest template 'MANIFEST.in'
      no previously-included directories found matching 'qmctoolscl\c_funcs.py'
      no previously-included directories found matching 'qmctoolscl\wrapped_funcs.py'
      no previously-included directories found matching 'qmctoolscl\__init__.py'
      writing manifest file 'qmctoolscl.egg-info\SOURCES.txt'
      C:\Users\username\AppData\Local\miniforge3\envs\erreur_ponctuelle_PCE\lib\site-packages\setuptools\command\build_py.py:202: SetuptoolsDeprecationWarning:     Installing 'qmctoolscl.c_funcs' as data is deprecated, please list it in `packages`.
          !!


          ############################
          # Package would be ignored #
          ############################
          Python recognizes 'qmctoolscl.c_funcs' as an importable package,
          but it is not listed in the `packages` configuration of setuptools.

          'qmctoolscl.c_funcs' has been automatically added to the distribution only
          because it may contain data files, but this behavior is likely to change
          in future versions of setuptools (and therefore is considered deprecated).

          Please make sure that 'qmctoolscl.c_funcs' is included as a package by using
          the `packages` configuration field or the proper discovery methods
          (for example by using `find_namespace_packages(...)`/`find_namespace:`
          instead of `find_packages(...)`/`find:`).

          You can read more about "package discovery" and "data files" on setuptools
          documentation page.


      !!

        check.warn(importable)
      C:\Users\username\AppData\Local\miniforge3\envs\erreur_ponctuelle_PCE\lib\site-packages\setuptools\command\build_py.py:202: SetuptoolsDeprecationWarning:     Installing 'qmctoolscl.cl_kernels' as data is deprecated, please list it in `packages`.
          !!


          ############################
          # Package would be ignored #
          ############################
          Python recognizes 'qmctoolscl.cl_kernels' as an importable package,
          but it is not listed in the `packages` configuration of setuptools.

          'qmctoolscl.cl_kernels' has been automatically added to the distribution only
          because it may contain data files, but this behavior is likely to change
          in future versions of setuptools (and therefore is considered deprecated).

          Please make sure that 'qmctoolscl.cl_kernels' is included as a package by using
          the `packages` configuration field or the proper discovery methods
          (for example by using `find_namespace_packages(...)`/`find_namespace:`
          instead of `find_packages(...)`/`find:`).

          You can read more about "package discovery" and "data files" on setuptools
          documentation page.


      !!

        check.warn(importable)
      creating build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\dnb2_digital_shift.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\dnb2_gen_gray.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\dnb2_gen_natural.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\dnb2_gmat_lsb_to_msb.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\dnb2_integer_to_float.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\dnb2_interlace.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\dnb2_linear_matrix_scramble.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\dnb2_undo_interlace.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\fft_bro_1d_radix2.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\fwht_1d_radix2.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\gdn_digital_permutation.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\gdn_digital_shift.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\gdn_gen_natural.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\gdn_gen_natural_same_base.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\gdn_integer_to_float.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\gdn_interlace.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\gdn_linear_matrix_scramble.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\gdn_undo_interlace.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\ifft_bro_1d_radix2.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\lat_gen_gray.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\lat_gen_linear.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\lat_gen_natural.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\lat_shift_mod_1.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\python_compat.c -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      copying qmctoolscl\c_funcs\qmctoolscl.h -> build\lib.win-amd64-cpython-310\qmctoolscl\c_funcs
      creating build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\dnb2_digital_shift.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\dnb2_gen_gray.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\dnb2_gen_natural.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\dnb2_gmat_lsb_to_msb.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\dnb2_integer_to_float.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\dnb2_interlace.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\dnb2_linear_matrix_scramble.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\dnb2_undo_interlace.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\fft_bro_1d_radix2.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\fwht_1d_radix2.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\gdn_digital_permutation.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\gdn_digital_shift.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\gdn_gen_natural.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\gdn_gen_natural_same_base.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\gdn_integer_to_float.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\gdn_interlace.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\gdn_linear_matrix_scramble.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\gdn_undo_interlace.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\ifft_bro_1d_radix2.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\lat_gen_gray.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\lat_gen_linear.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\lat_gen_natural.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      copying qmctoolscl\cl_kernels\lat_shift_mod_1.cl -> build\lib.win-amd64-cpython-310\qmctoolscl\cl_kernels
      running build_ext
      building 'qmctoolscl.c_lib' extension
      error: Microsoft Visual C++ 14.0 or greater is required. Get it with "Microsoft C++ Build Tools": https://visualstudio.microsoft.com/visual-cpp-build-tools/
      [end of output]

  note: This error originates from a subprocess, and is likely not a problem with pip.
error: legacy-install-failure

× Encountered error while trying to install package.
╰─> qmctoolscl

note: This is an issue with the package mentioned above, not pip.
hint: See above for output from the failure.

[notice] A new release of pip is available: 23.0.1 -> 25.2
[notice] To update, run: python.exe -m pip install --upgrade pip

It seems that a MS Visual C++ compiler is needed to install the tool.

[mbaudin47]

This is a bug identified downstream in QMCSoftware Issue #410.

[alegresor]

@mbaudin47, I tried uploading a Windows wheel to testpyi here. Can you run the following and see if the wheel installs ok for you?

pip install -i https://test.pypi.org/simple/ qmctoolscl==1.1.5

For reference, I am building the Windows wheel using a GitHub Actions CI here which I derived from this helpful article.

[mbaudin47]

Thank you very much for the work. I cannot install this: I have to coordinate with colleagues, so that the system we use can be updated accordingly.

[alegresor]

Sounds good. Let me know if there is anything I can do to provide a compatible wheel. Maybe changing the runs-on in the wheels.yml file linked in my last comment would help?

[mbaudin47]

@pascal2802