Update setup.cfg

[GZ82]

Hi thanks for the brilliant mapping tool recently when I want to install rxnmapper on python 3.9 I get following error: " copying scipy/_lib/_uarray/setup.py -> build/lib.linux-x86_64-cpython-39/scipy/_lib/_uarray running build_clib customize UnixCCompiler customize UnixCCompiler using build_clib building 'mach' library error: library mach has Fortran sources but no Fortran compiler found [end of output]

note: This error originates from a subprocess, and is likely not a problem with pip. ERROR: Failed building wheel for scipy Failed to build scipy ERROR: Could not build wheels for scipy, which is required to install pyproject.toml-based projects " since it seems the problem of Fortran, we run following: sudo apt-get update && sudo apt-get install gfortran

unfortunately this leads to the same error and many more warnings " Warning: Unused variable ‘tarray’ declared at (1) [-Wunused-variable] gfortran:f77: scipy/sparse/linalg/eigen/arpack/ARPACK/UTIL/smout.f error: Command "/usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -O3 -funroll-loops -Iscipy/sparse/linalg/eigen/arpack/ARPACK/SRC -I/tmp/pip-build-env-artgtyxl/overlay/lib/python3.9/site-packages/numpy/core/include -c -c scipy/sparse/linalg/eigen/arpack/ARPACK/SRC/dnaitr.f -o build/temp.linux-x86_64-cpython-39/scipy/sparse/linalg/eigen/arpack/ARPACK/SRC/dnaitr.o" failed with exit status 1 [end of output]

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

based on this link: https://github.com/scipy/scipy/issues/11611 scipy before 1.5 is not compatible with gfortran 10, and rxnmapper explicitly depends on scipy 1.4.1

so I wonder if it is possible to change the scipy version to the latest or relatively new one and probably the python version also if necessary if this change does not lead to many troubles.

[cla-bot[bot]]

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[avaucher]

Thanks for reporting this! Confirmed on my side.

Happy to integrate this PR, with the following requests:

• Complete the CLA as provided in the instructions above
• We need to keep python_requires = >= 3.6, otherwise the package will not be compatible anymore with 3.6 and 3.7
• Instead of forcing the scipy version to be 1.9.3, I think it will be enough to relax its version with scipy>=1.4.1. This will also ensure backwards compatibility.

If you prefer, I can do these changes in a separate PR instead.

[GZ82]

Thanks so much for your prompt reply! agree with all proposals, please do it in a separate PR, many thanks!

[avaucher]

The new version (0.2.3) should be compatible with Python 3.10.

Let us know if you run into any problems!