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grimme-lab / xtb

Semiempirical Extended Tight-Binding Program Package
https://xtb-docs.readthedocs.io/
GNU Lesser General Public License v3.0
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Conda package of xtb #1076

Closed jevandezande closed 2 days ago

jevandezande commented 3 months ago

Are there plans to ship a conda package for xtb 6.7.1? The latest version available on conda-forge is xtb 6.6.1, which was uploaded over a year ago.

marcelmbn commented 3 months ago

We are working on this, but are currently facing some technical problems. We'll let you know in this issue as soon as the problems have been resolved.

marcelmbn commented 3 months ago

@Albkat We should have also this in mind for preparing the shipping to conda-forge for version >=6.7.1: https://github.com/grimme-lab/xtb/issues/1052 https://github.com/grimme-lab/xtb/issues/904

corinwagen commented 4 weeks ago

any update here, folks?