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Fix installing conflicting optional dependencies via uv in pyproject.toml #188

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curtischong merged 2 commits into from
May 12, 2025
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Fix installing conflicting optional dependencies via uv in pyproject.toml #188

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fix installing conflicting deps via uv conflicts section in pyproject…
curtischong May 11, 2025
7292777
fix lints
curtischong May 11, 2025
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10 changes: 10 additions & 0 deletions pyproject.toml
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Original file line number Diff line number Diff line change
Expand Up @@ -146,3 +146,13 @@ addopts = [
"-v",
]
testpaths = ["tests"]

[tool.uv]
# make these dependencies mutually exclusive since they use incompatible e3nn versions
# see https://docs.astral.sh/uv/concepts/projects/config/#conflicting-dependencies for more details
conflicts = [
[{ extra = "mace" }, { extra = "mattersim" }],
[{ extra = "mattersim" }, { extra = "graphpes" }],
[{ extra = "sevenn" }, { extra = "graphpes" }],
[{ extra = "mace" }, { extra = "sevenn" }],
Comment on lines +154 to +157

@CompRhys CompRhys May 12, 2025

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Is there anyway to automatically get these ?

(base) ➜  torch-sim git:(test-stress) uv lock
  × No solution found when resolving dependencies for split (python_full_version >= '3.12' and sys_platform == 'win32'):
  ╰─▶ Because torch-sim-atomistic[mattersim] depends on mattersim and mattersim>=1.1.0 depends on e3nn>=0.5.0, we can conclude
      that e3nn<0.5.0, mattersim!=1.0.0, torch-sim-atomistic[mattersim] are incompatible.
      And because mattersim==1.0.0 depends on e3nn==0.5.0 and graph-pes>=0.0.34 depends on e3nn==0.4.4, we can conclude that
      graph-pes>=0.0.34 and torch-sim-atomistic[mattersim] are incompatible.
      And because only the following versions of graph-pes are available:
          graph-pes<=0.0.34
          graph-pes==0.0.35
          graph-pes==0.0.36
          graph-pes==0.1.0
          graph-pes==0.1.1
      and torch-sim-atomistic[graphpes] depends on graph-pes>=0.0.34, we can conclude that torch-sim-atomistic[graphpes] and
      torch-sim-atomistic[mattersim] are incompatible.
      And because your project requires torch-sim-atomistic[graphpes] and torch-sim-atomistic[mattersim], we can conclude that
      your project's requirements are unsatisfiable.

running uv lock only seems to give the first one it encounters

]