cookie release

[Tieqiong]

No description provided.

[Tieqiong]

@sbillinge also see diffpy.srfit

I made two issues #64 and #65 that we might want to fix. For #64 we want to make sure the testings are working (related to a399f18 and 15e0c07 (only change header), might relate to 7452562). For #65 I got warnings while making html, which are related to the docstrings.

Another important question for this package is the licenses. I changed the file type from .txt to .rst and added 2024 Columbia in license.rst and license_danse.rst while keeping all other the same (type of licenses and license_pymmlib.rst).

Other potential problems:

• CI not passing (probably not cookiecutter's fault)
• devutils (do we need it?)
• requirements (add requirements?)
• diffpy/Structure.py (do we need it?)
• keywords (is 'crystal structure data storage CIF PDB' one keyword?)
• after changing the license, update MANIFEST.in, doc related links for the license files we want to link to, pyproject.toml classifiers: License
• Codecov has been deactivated
• No GitHub action page
• headers of old codes
• @Sparks29032 add specific import for 7452562 in diffpy.structure-feedstock. Thanks

[sbillinge]

@Tieqiong I am merging this so we can move forward.

the most important next step is to get the tests working with pytest, and then to set up the github workflows so we are running tests for the CI.

Let's try and do that on a new PR. Please also make a news item to cover this cookie-release activity (as well as news items for each of the subsequent PRs. In general we expect one news item per PR.

[Tieqiong]

@Tieqiong I am merging this so we can move forward.

the most important next step is to get the tests working with pytest, and then to set up the github workflows so we are running tests for the CI.

Let's try and do that on a new PR. Please also make a news item to cover this cookie-release activity (as well as news items for each of the subsequent PRs. In general we expect one news item per PR.

@sbillinge
I'm trying to get the tests working, and I referred to diffpy.utils and diffpy.pdfmorph. Don't know exactly why but it seems like the testing (I did python -m {{ name }}.tests) works for diffpy.utils but not diffpy.pdfmorph. The error is No module named diffpy.pdfmorph.tests and it's also happening for diffpy.labpdfproc and diffpy.structure. I guess the __init __ inside tests folder is not properly set up for the cookiecutter. I'll need to learn and try around with it.

I also notice the unittest to pytest thing is not a problem now, as we have a conftest that should be able to do the fixture. I'll make sure it's working properly after fixing the unittest.

[Sparks29032]

How are you installing the modules before testing?

[Tieqiong]

@Sparks29032 I install the package by pip install .
I'm not sure how to install the modules?