Help installing on Win64 with MSYS2 (mingw64 compilers)

Describe the issue

I am trying to get sisl installed on Windows, in plain Python installation (i.e. not Anaconda). My best take is to install MSYS2, install gcc and gfortran packages there and then pip gets farther as seen in the output below

koval@DESKTOP-B5CLTB9 MINGW64 ~/programs
$ pip install sisl
Collecting sisl
  Downloading sisl-0.10.0.tar.gz (3.4 MB)
  Installing build dependencies: started
  Installing build dependencies: finished with status 'done'
  Getting requirements to build wheel: started
  Getting requirements to build wheel: finished with status 'done'
    Preparing wheel metadata: started
    Preparing wheel metadata: finished with status 'done'
Requirement already satisfied: numpy>=1.13 in c:\users\koval\appdata\local\programs\python\python37\lib\site-packages (from sisl) (1.18.1)
Requirement already satisfied: pyparsing>=1.5.7 in c:\users\koval\appdata\local\programs\python\python37\lib\site-packages (from sisl) (2.4.6)
Collecting netCDF4
  Downloading netCDF4-1.5.4.tar.gz (793 kB)
    ERROR: Command errored out with exit status 1:
     command: 'c:\users\koval\appdata\local\programs\python\python37\python.exe' -c 'import sys, setuptools, tokenize; sys.argv[0] = '"'"'C:\\Users\\koval\\AppData\\Local\\Temp\\pip-install-v801fhjq\\netCDF4\\setup.py'"'"'; __file__='"'"'C:\\Users\\koval\\AppData\\Local\\Temp\\pip-install-v801fhjq\\netCDF4\\setup.py'"'"';f=getattr(tokenize, '"'"'open'"'"', open)(__file__);code=f.read().replace('"'"'\r\n'"'"', '"'"'\n'"'"');f.close();exec(compile(code, __file__, '"'"'exec'"'"'))' egg_info --egg-base 'C:\Users\koval\AppData\Local\Temp\pip-pip-egg-info-tyxwvna8'
         cwd: C:\Users\koval\AppData\Local\Temp\pip-install-v801fhjq\netCDF4\
    Complete output (16 lines):
    reading from setup.cfg...

        HDF5_DIR environment variable not set, checking some standard locations ..
    checking C:\Users\koval ...
    checking /usr/local ...
    checking /sw ...
    checking /opt ...
    checking /opt/local ...
    checking /usr ...
    Traceback (most recent call last):
      File "<string>", line 1, in <module>
      File "C:\Users\koval\AppData\Local\Temp\pip-install-v801fhjq\netCDF4\setup.py", line 397, in <module>
        _populate_hdf5_info(dirstosearch, inc_dirs, libs, lib_dirs)
      File "C:\Users\koval\AppData\Local\Temp\pip-install-v801fhjq\netCDF4\setup.py", line 345, in _populate_hdf5_info
        raise ValueError('did not find HDF5 headers')
    ValueError: did not find HDF5 headers
    ----------------------------------------
ERROR: Command errored out with exit status 1: python setup.py egg_info Check the logs for full command output.

Version details Run the below code and add to issue (if an issue is relevant for the issue):

import sys
print(sys.version)
import sisl
print(sisl.__version__)
print(sisl.__git_revision__)

$ ipython Python 3.7.6 (tags/v3.7.6:43364a7ae0, Dec 19 2019, 00:42:30) [MSC v.1916 64 bit (AMD64)] Type ‘copyright’, ‘credits’ or ‘license’ for more information IPython 7.12.0 – An enhanced Interactive Python. Type ‘?’ for help.

In [1]: import sys …: print(sys.version) 3.7.6 (tags/v3.7.6:43364a7ae0, Dec 19 2019, 00:42:30) [MSC v.1916 64 bit (AMD64)]

import sisl is not working yet.

[zerothi]

Great, thanks! I have added a small section in the installation procedure. 😃

[kovalp]

Thank you for the update. I will keep it in mind.

On Tue, Dec 14, 2021 at 2:45 PM Nick Papior @.***> wrote:

@kovalp https://github.com/kovalp the build system has been updated, and some details regarding numpy linking has been fixed, if you want to retry on your windows box it would be nice, I still don’t have a windows box to test on… 😦

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