Development occurs on GitHub. We gladly accept pull requests !
To start developing features for the package, you will need the core runtime dependencies, shown in installing, in addition to the below:
Tests may be run locally through py.test. This can be invoked using either
py.test
or python setup.py test
in the project root. Command line
extensions are not tested by default - these can be tested also, by using the
appropriate flag, such as python setup.py test --with-chemaxon
.
Test coverage is assessed using coverage
. This is run locally as part of
the pytest command. It is set up to run as part of the CI, and can be viewed
on Scrutinzer. Test coverage has suffered as features were rapidly developed
in response to needs for the author’s PhD, and will be improved once the PhD
is submitted!
scikit-chem conforms to pep8. PyLint is used to assess code quality locally,
and can be run using pylint skchem
from the root of the project.
Scrutinzer is also set up to run as part of the CI. As with test coverage,
code quality has slipped due to time demands, and will be fixed once the PhD is
submitted!
This documentation is built using Sphinx, and Bootstrap using the Bootswatch
Flatly theme. The documentation is hosted on Github Pages. To build the
html documentation locally, run make html
. To serve it, run
make livehtml
.