Add Package: bigdft-suite

[william-dawson]

Checklist

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[conda-forge-linter]

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/bigdft) and found some lint.

Here's what I've got...

For recipes/bigdft:

• The top level meta keys are in an unexpected order. Expecting ['package', 'source', 'build', 'requirements', 'test', 'about', 'extra'].
• license_file entry is missing, but is required.

For recipes/bigdft:

• License is not an SPDX identifier (or a custom LicenseRef) nor an SPDX license expression.

Documentation on acceptable licenses can be found here.

[conda-forge-linter]

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/bigdft) and found it was in an excellent condition.

[william-dawson]

Is libfmalloc part of this package or are you redistributing?

Shipping static libraries is not allowed. The following libs are being shipped statically: abinit, atlab, bigdft, CheSS, dics, futile, Galn, orbs, Psolver.

_jhbuild/ is in included in the artifacts, is the supposed to be shipped?

I've set my install script to remove the _jhbuild directory as it seems to be only used at build time. I've also modified the configuration lines to build dynamic versions of the libraries (and remove the static versions). This indeed includes libfmalloc, which is our Fortran module for managing dynamic memory.

I think I have addressed all your suggestions, but let me know if I missed or misunderstood something. We appreciate the feedback!

[carterbox]

The tests in this conda recipe are for packaging validation, so their purpose is to check that the artifacts were installed correctly. They are not necessarily a comment on whether a feature of the package is deprecated or considered experimental. If you expect that an end user of this package would still be importing the CheSS module, then you should test it.

[william-dawson]

@carterbox I've gone through the most recent suggestions. For the testing of the dynamic libraries you suggested, I had to remove liborbs from the list, as there is an issue with the symbolic link. I will report that upstream. For the CheSS and gi modules, thank you for the clarification. There is essentially a 0% chance someone would include it in their code, so I think it is safe to leave that test out.

[william-dawson]

(see individual comments)

[carterbox]

@conda-forge/help-python-c, please review

[carterbox]

Apparently, I'm the only reviewer of compiled packages right now. 😆

[william-dawson]

Apparently, I'm the only reviewer of compiled packages right now. 😆

Be sure to add that you to CV 😄