M. Eric Irrgang

#150 initiates the move to PEP517, introducing `pyproject.toml` and migrating most of `setup.py` to `setup.cfg`. Corresponding workshop material updates are proposed at https://github.com/MolSSI-Education/python-package-best-practices/pull/80 #151 migrates from versioneer to versioningit, also...

Some additional discussion took place offline on Friday. Key points * It is likely preferable to embrace PEP 621 now, and include all three PRs in this update cycle rather...

Seems good to me. On Fri, Aug 19, 2022, 20:35 Levi Naden ***@***.***> wrote: > I think we've addressed with with the 3 PRs from @eirrgang > and the follow...

To me, the "cookiecutter" prefix makes it sound like a fork of https://github.com/cookiecutter/cookiecutter rather than an instance of a cookiecutter template. However, `cookiecutter-` appears to be the [conventional naming scheme](https://cookiecutter.readthedocs.io/en/stable/README.html#available-cookiecutters):...

With conda, in particular, it is easy to get mismatched toolchains or dependencies. Is the default `pip` provided by that py 3.7.9 conda environment? You could try using `python -m...

> I tried using venv instead of conda and didn't run into any issue with the installation Exactly. This is a symbol from the C++ standard library. Conda packages are...

The issue described by @romankempt is actually quite distinct from this one. In both cases, the source code (or an included header) references a symbol at compile time that cannot...

> Hi @eirrgang, I would like to protect users from these issues. How does modern CMake protect from mismatched compiler/toolchain/dependencies? Does it automatically detect these issues and raise an appropriate...

> I am asking because I have been contemplating whether to move our (deeptime, linked issue above) build system to CMake entirely, this would be a good argument to invest...