sametz / nmrsim

A Python library for NMR simulation

Geek Repo:Geek Repo

Github PK Tool:Github PK Tool

Sparse v0.11.0 breaks nmrsim.qm

sametz opened this issue · comments

Minimal bug report for now to alert users that sparse 0.11.0 broke the Hamiltonian calculations in nmrsim.qm. It appears to be typing-related. For now, pin your sparse version to <=0.10

Update: there seemed to be related issues posted over on the Sparse GitHub. They were supposedly fixed in sparse 0.12.0. However, nmrsim does not work with that update either.

Temporary fix with release 0.5.2 pinning sparse to <=0.10.0. Waiting on resolution to sparse issue #499, as well as issue #493.

The issue was fixed with sparse 0.13.0. See: pydata/sparse@b132b68

The next update to nmrsim should allow sparse >=13 as a requirement as well as <=10.