BUG: forcefields add-on has conflicting versions
The bug is described towards the end of this discussion:
https://github.com/materialsproject/atomate2/issues/1438
Briefly- the ``forcefields`` add-on in atomate2 leads to dependency conflicts:
```
ERROR: Cannot install atomate2 because these package versions have conflicting dependencies.
The conflict is caused by:
mace-torch 0.3.3 depends on e3nn==0.4.4
mattersim 1.2.1 depends on e3nn>=0.5.0
mace-torch 0.3.3 depends on e3nn==0.4.4
mattersim 1.2.0 depends on e3nn>=0.5.0
mace-torch 0.3.3 depends on e3nn==0.4.4
mattersim 1.1.2 depends on e3nn>=0.5.0
mace-torch 0.3.3 depends on e3nn==0.4.4
mattersim 1.1.1 depends on e3nn>=0.5.0
mace-torch 0.3.3 depends on e3nn==0.4.4
mattersim 1.1.0 depends on e3nn>=0.5.0
To fix this you could try to:
1. loosen the range of package versions you've specified
2. remove package versions to allow pip attempt to solve the dependency conflict
ERROR: ResolutionImpossible: for help visit https://pip.pypa.io/en/latest/topics/dependency-resolution/#dealing-with-dependency-conflicts
```
Suggested resolution from my side is for this add-on to only support a few core forcefields, such as those supported by matgl, and have the user be responsible for adding on more forcefields that they choose.
关闭于 2026-04-06 15 条评论