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zincware / IPSuite

Machine Learned Interatomic Potential Tools
https://ipsuite.readthedocs.io
Eclipse Public License 2.0
19 stars 11 forks source link

update dockerfile #327

Open M-R-Schaefer opened 3 months ago

M-R-Schaefer commented 3 months ago

the dockerfile uses groups that don't exist anymore and an old jax cuda installation instruction.

PythonFZ commented 3 months ago

new dockerfile is being wored on https://github.com/zincware/IPSuite/pull/322 the docker release is temporarily disabled https://github.com/zincware/IPSuite/pull/329