NWChemEx / NWChemEx/PluginPlay
make_lambda
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- Dominant language
- C++
- Stars
- 13
- Forks
- 1
- Avg merge
- 43m
- Merged PRs (30d)
- 4
Description
Does anyone know if we can use pluginplay::make_lambda from Python?
I tried:
from simde import simde, chemist, pluginplay
def my_fxn(mol):
ao_bs = chemist.AOBasisSetD()
for atom in mol:
# apply basis
return chemist.AOSpaceD(ao_bs)
pt = simde.AtomicOrbitals
mod = pluginplay.make_lambda[pt](my_fxn)
and get:
Failed to instantiate "make_lambda<simde::AtomicOrbitals>(function)"
As a workaround one can wrap the call to my_fxn in a full-fledged module.
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start by examining the pluginplay::make_lambda entry point and the Python call shown in the issue, focusing on why instantiation of make_lambdasimde::AtomicOrbitals(function) fails. Confirm whether Python support is intended and identify the relevant binding path; done means the call works from Python or the supported limitation is documented.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- cpp, python
- Domain
- api, developer-experience
- Issue type
- Feature
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 35/100