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MolSSI-BSE / basis_set_exchange

A repository for quantum chemistry basis sets
https://molssi-bse.github.io/basis_set_exchange/
BSD 3-Clause "New" or "Revised" License
154 stars 45 forks source link

Installation Problem #308

Open ekwan opened 6 months ago

ekwan commented 6 months ago

Pip install fails because versioneer is broken for Python 3.12+:

Collecting basis_set_exchange
  Using cached basis_set_exchange-0.9.1.tar.gz (33.1 MB)
  Preparing metadata (setup.py) ... error
  error: subprocess-exited-with-error

  × python setup.py egg_info did not run successfully.
  │ exit code: 1
  ╰─> [18 lines of output]
      /private/var/folders/gg/14grql493pddvc1mb273__kh0000gn/T/pip-install-h3peqzn1/basis-set-exchange_0b711af8dd51431da64a9119258935f2/versioneer.py:421: SyntaxWarning: invalid escape sequence '\s'
        LONG_VERSION_PY['git'] = '''
      Traceback (most recent call last):
        File "<string>", line 2, in <module>
        File "<pip-setuptools-caller>", line 34, in <module>
        File "/private/var/folders/gg/14grql493pddvc1mb273__kh0000gn/T/pip-install-h3peqzn1/basis-set-exchange_0b711af8dd51431da64a9119258935f2/setup.py", line 33, in <module>
          version=versioneer.get_version(),
                  ^^^^^^^^^^^^^^^^^^^^^^^^
        File "/private/var/folders/gg/14grql493pddvc1mb273__kh0000gn/T/pip-install-h3peqzn1/basis-set-exchange_0b711af8dd51431da64a9119258935f2/versioneer.py", line 1480, in get_version
          return get_versions()["version"]
                 ^^^^^^^^^^^^^^
        File "/private/var/folders/gg/14grql493pddvc1mb273__kh0000gn/T/pip-install-h3peqzn1/basis-set-exchange_0b711af8dd51431da64a9119258935f2/versioneer.py", line 1412, in get_versions
          cfg = get_config_from_root(root)
                ^^^^^^^^^^^^^^^^^^^^^^^^^^
        File "/private/var/folders/gg/14grql493pddvc1mb273__kh0000gn/T/pip-install-h3peqzn1/basis-set-exchange_0b711af8dd51431da64a9119258935f2/versioneer.py", line 342, in get_config_from_root
          parser = configparser.SafeConfigParser()
                   ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
      AttributeError: module 'configparser' has no attribute 'SafeConfigParser'. Did you mean: 'RawConfigParser'?
      [end of output]

  note: This error originates from a subprocess, and is likely not a problem with pip.
error: metadata-generation-failed

× Encountered error while generating package metadata.
╰─> See above for output.

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