Let qdk-chemistry supply pyscf in the venv command - #3666
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Dhairya Patel (HABER7789) wants to merge 1 commit into
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Let qdk-chemistry supply pyscf in the venv command#3666Dhairya Patel (HABER7789) wants to merge 1 commit into
Dhairya Patel (HABER7789) wants to merge 1 commit into
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Dhairya Patel (HABER7789)
marked this pull request as ready for review
August 28, 2026 19:16
Dhairya Patel (HABER7789)
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Andrew Casey (amcasey),
Bill Ticehurst (billti) and
Ian Davis (idavis)
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August 28, 2026 19:16
João Boechat (joao-boechat)
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Aug 28, 2026
| label: "qdk-chemistry", | ||
| // qdk-chemistry bounds pyscf under its `plugins` extra, which `jupyter` | ||
| // pulls in. Installing it bare would leave pyscf unconstrained. | ||
| label: "qdk-chemistry[jupyter]", |
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I think we should have separate qdk-chemistry and qdk-chemistry[jupyter] entries, as for qdk and then we probably need an aggregator function
Andrew Casey (amcasey)
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I'd rather split qdk-chemistry in the picker, but I'm okay with merging if we're in a rush
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The venv command installed qdk-chemistry, so nothing bounded pyscf and it resolved to 2.14.0 a version qdk-chemistry doesn't support. The bound lives under qdk-chemistry's plugins extra, which the jupyter extra pulls in.