Adding diffpy.cmi

[cadenmyers13]

Checklist

• Title of this PR is meaningful: e.g. "Adding my_nifty_package", not "updated meta.yaml".
• License file is packaged (see here for an example).
• Source is from official source.
• Package does not vendor other packages. (If a package uses the source of another package, they should be separate packages or the licenses of all packages need to be packaged).
• If static libraries are linked in, the license of the static library is packaged.
• Package does not ship static libraries. If static libraries are needed, follow CFEP-18.
• Build number is 0.
• A tarball (url) rather than a repo (e.g. git_url) is used in your recipe (see here for more details).
• GitHub users listed in the maintainer section have posted a comment confirming they are willing to be listed there.
• When in trouble, please check our knowledge base documentation before pinging a team.

[github-actions]

Hi! This is the staged-recipes linter and I found some lint.

File-specific lints and/or hints:

• recipes/diffpy.cmi/meta.yaml:
  • lints:
    • The following maintainers have not yet confirmed that they are willing to be listed here: Tieqiong, sbillinge. Please ask them to comment on this PR if they are.

[cadenmyers13]

@sbillinge @Tieqiong Can you guys leave a comment saying you're willing to be a maintainer? I've listed myself and both of you as maintainers. Let me know if this should change.

[conda-forge-admin]

Hi! This is the friendly automated conda-forge-linting service.

I wanted to let you know that I linted all conda-recipes in your PR (recipes/diffpy.cmi/meta.yaml) and found some lint.

Here's what I've got...

For recipes/diffpy.cmi/meta.yaml:

• ❌ The top level meta key kage is unexpected
• ❌ Recipe name has invalid characters. only lowercase alpha, numeric, underscores, hyphens and dots allowed
• ❌ Package version is missing.

_{This message was generated by GitHub Actions workflow run https://github.com/conda-forge/conda-forge-webservices/actions/runs/16813835198. Examine the logs at this URL for more detail.}

[conda-forge-admin]

Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipes/diffpy.cmi/meta.yaml) and found it was in an excellent condition.

[Tieqiong]

I am happy to be listed as a maintainer on this package

[sbillinge]

I am happy to be listed as a maintainer

[sbillinge]

I think we do need all the requirements listed, right?

It seems to be failing build for windows.

[github-actions]

Hi! This is the staged-recipes linter and your PR looks excellent! 🚀

[cadenmyers13]

I think we do need all the requirements listed, right?

@sbillinge In the old meta.yaml file we have the dependencies listed like so. Do I need to specify the versions? Here's the meta.yaml im referencing below https://github.com/diffpy/conda-recipes/blob/main/diffpy-cmi/meta.yaml.

  run:
    # Python 2
    - srfit-sasview 3.1.2       # [py2k]

    # Python 3 and 2
    - diffpy.structure 3.0.1
    - diffpy.utils 3.0.0
    - diffpy.srfit 3.0.0
    - libobjcryst 2017.2.2
    - pyobjcryst 2.1.0
    - periodictable 1.5.0
    - libdiffpy 1.4.0
    - diffpy.srreal 1.3.0

    - python
    - ipython
    - jupyter
    - scipy
    - matplotlib

[sbillinge]

yup, that's what we want. Probably we would like to do it without the pins. libobjcryst will need a pin, please see conda-forge/pyobjcryst to get the pin number. Let's also drop sasview, jupyter and ipython. I think matplotlib can go to matplotlib-base. Drop the comments.

We also need to get it passing CI

[conda-forge-admin]

Hi! This is the friendly automated conda-forge-linting service.

I wanted to let you know that I linted all conda-recipes in your PR (recipes/diffpy.cmi/meta.yaml) and found some lint.

Here's what I've got...

For recipes/diffpy.cmi/meta.yaml:

• ❌ Non noarch packages should have python requirement without any version constraints.

_{This message was generated by GitHub Actions workflow run https://github.com/conda-forge/conda-forge-webservices/actions/runs/16838731575. Examine the logs at this URL for more detail.}

[cadenmyers13]

@sbillinge The builds are failing because srreal isn't on CF yet. I also removed the noarch to handle the previous failure but I can't tell if that works until this srreal issue is fixed. I am getting the linter error message though about the Python requirement so that will need to be addressed.

[sbillinge]

@cadenmyers13 this package should be noarch, no reason why not. Can we figure out why it is failing on windows and fix that rather than setting it to not be noarch?

It is probably something hiding in the configuration somewhere. it seems to be making a windows executable when it shouldn't.

[sbillinge]

this should be noarch

[cadenmyers13]

@sbillinge yeah i can look into it

[conda-forge-admin]

Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipes/diffpy.cmi/meta.yaml) and found it was in an excellent condition.

[cadenmyers13]

@sbillinge Ah, this build failure seems to be happening due to the CLI entry point in pyproject.toml. Therefore we can't build this with noarch because windows creates a binary executable file for CLI tools.

[project.scripts]
diffpy-cmi = "diffpy.cmi.diffpy_cmi_app:main"
cmi = "diffpy.cmi.diffpy_cmi_app:main"

[sbillinge]

can we define these as entry points instead of scripts? Could you take a look at diffpy.morph and one of the other packages that have apps? I think they are noarch and have apps