Error with `Mole.from_cpu`
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- Dominant language
- Cuda
- Stars
- 351
- Forks
- 84
- Avg merge
- 3d 2h
- Merged PRs (30d)
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Description
PySCF expects to Mole.from_cpu to be defined (https://github.com/pyscf/pyscf/commit/93de3aed3143ed46aa426f3a51dd060f6bfbdf99), but it is not yet available in a GPU4PySCF release (added January 13: https://github.com/pyscf/gpu4pyscf/commit/ec1a6073eaf56930afebd1c18439ca2008b66f62)
Would likely be easiest to fix with a new release of GPU4PySCF
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 comparing the PySCF commit that expects Mole.from_cpu with the GPU4PySCF commit that added it. Then review the repository's release process and verify which release contains the API. Done means a published GPU4PySCF release provides Mole.from_cpu for the compatible PySCF version.
Written by the indexing model from the issue text.
Assessment
- Domain
- release
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 35/100