cryos / avogadro

Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
http://avogadro.cc/
GNU General Public License v2.0
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At least three files have Python syntax errors #961

Closed cclauss closed 2 years ago

cclauss commented 2 years ago

$ python3 -m pip install flake8 # https://pypi.org/project/flake8 $ flake8 . --count --select=E9,F63,F7 --show-source --statistics

./avogadro/scripts/find-po-email.py:14:11: E999 SyntaxError: invalid syntax
    print email
          ^
./avogadro/libavogadro/examples/python/proteinextension.py:50:13: E999 SyntaxError: invalid syntax
      print atomId
            ^
./avogadro/libavogadro/src/python/unittest/template.py:9:3: E999 IndentationError: expected an indented block
  def test_test1(self):
  ^
3     E999 SyntaxError: invalid syntax
3
ghutchis commented 2 years ago

This app was released in 2007-2008 and last updated in 2016. It is not Py3 compatible (nor Qt5, Open Babel 3, etc.). It is no longer maintained as indicated in the header of this GitHub repo.

If you would like to help, Avogadro 2 is available at https://github.com/openchemistry/ and there are a variety of Python features, e.g.:

Feel free to stop by and say hello at https://discuss.avogadro.cc/

cclauss commented 2 years ago

brew home avogadro --> https://avogadro.cc (perhaps this should be https://www.openchemistry.org instead.)

https://avogadro.cc

ghutchis commented 2 years ago

I don't own the repo, so I can't archive it, but I've told @cryos

Clearly a PR is needed to homebrew-cask. At the moment, the better webpage is https://two.avogadro.cc/ - we haven't updated the main site because some users need features not available in avogadrolibs

Thanks for the PR - particularly in avogenerators. Do you have any suggestions for the GitHub actions there?