App Deployment error for the package openbabel

Hello ! :wave:t4:

This error :point_down:t4: comes up , probably due this package openbabel/openbabel: Open Babel is a chemical toolbox designed to speak the many languages of chemical data. (github.com)

Error Details (partly) while deploying the app

(Specklit/app2.py at main 路 avrabyt/Specklit 路 GitHub) (Partly)"]

Failed to build openbabel

Installing collected packages: webencodings, wcwidth, Send2Trash, pytz, ptyprocess, pickleshare, openbabel, mistune, ipython-genutils, fastjsonschema, commonmark, blinker, backcall, zipp, wheel, watchdog, urllib3, tzdata, typing-extensions, traitlets, tornado, toolz, tomlkit, toml, tinycss2, soupsieve, smmap, six, setuptools, semver, pyzmq, pyrsistent, pyparsing, pympler, pygments, pycparser, psutil, protobuf, prompt-toolkit, prometheus-client, pillow, pexpect, parso, pandocfilters, numpy, nest-asyncio, MarkupSafe, jupyterlab-widgets, jupyterlab-pygments, idna, entrypoints, defusedxml, decorator, debugpy, charset-normalizer, certifi, cachetools, backports.zoneinfo, attrs, validators, terminado, rich, requests, pytz-deprecation-shim, python-dateutil, pyarrow, packaging, matplotlib-inline, jupyter-core, jinja2, jedi, importlib-resources, importlib-metadata, gitdb, cffi, bleach, beautifulsoup4, tzlocal, pandas, jupyter-client, jsonschema, ipython, gitpython, deprecation, click, argon2-cffi-bindings, nbformat, jupyter-packaging, ipykernel, argon2-cffi, altair, nbclient, nbconvert, notebook, widgetsnbextension, ipywidgets, pydeck, ipyspeck, streamlit, st-speckmol

  Running setup.py install for openbabel: started

  Running setup.py install for openbabel: finished with status 'error'

  error: subprocess-exited-with-error

  

  脳 Running setup.py install for openbabel did not run successfully.

  鈹 exit code: 1

  鈺扳攢> [16 lines of output]

      running install

      /home/appuser/venv/lib/python3.7/site-packages/setuptools/command/install.py:37: SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools.

        setuptools.SetuptoolsDeprecationWarning,

      running build_ext

      Warning: invalid version number '3.1.1.1'.

      Guessing Open Babel location:

      - include_dirs: ['/home/appuser/venv/include', '/usr/local/include/python3.7m', '/usr/local/include/openbabel3']

      - library_dirs: ['/usr/local/lib', '/usr/local/lib']

      building 'openbabel._openbabel' extension

      swigging openbabel/openbabel-python.i to openbabel/openbabel-python_wrap.cpp

      swig -python -c++ -small -O -templatereduce -naturalvar -I/home/appuser/venv/include -I/usr/local/include/python3.7m -I/usr/local/include/openbabel3 -o openbabel/openbabel-python_wrap.cpp openbabel/openbabel-python.i

      

      Error: SWIG failed. Is Open Babel installed?

      You may need to manually specify the location of Open Babel include and library directories. For example:

        python setup.py build_ext -I/usr/local/include/openbabel3 -L/usr/local/lib

        python setup.py install

      [end of output]

  

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

error: legacy-install-failure


脳 Encountered error while trying to install package.

鈺扳攢> openbabel


note: This is an issue with the package mentioned above, not pip.

hint: See above for output from the failure.```

Here鈥檚 the link to the repository (requirements.txt file ) Specklit/requirements.txt at main 路 avrabyt/Specklit (github.com)

It will be of great help if any one point me out the correct way to add the package in the requirements.txt file (if that鈥檚 the error while deploying)

Thanks in advance! :hugs:

Cheers
Avra

I assume, you need some binary dependencies for openbabel, therefore i would try some other packages in your packages.txt file:

libopenbabel-dev
python3-openbabel

Hey @Franky1 , thanks for your reply .
Unfortunately, the error still persists with the openbabel package . Specklit/packages.txt at main 路 avrabyt/Specklit 路 GitHub

Am I missing something here ?

Thanks
Avra