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Update sevenn #337

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merged 2 commits into from
Oct 23, 2024
Merged

Update sevenn #337

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8752d35
Update sevenn
ElliottKasoar Oct 22, 2024
2a1ce6c
Fix sevenn version
ElliottKasoar Oct 22, 2024
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3 changes: 1 addition & 2 deletions janus_core/helpers/mlip_calculators.py
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Expand Up @@ -207,8 +207,7 @@ def choose_calculator(
calculator = AlignnAtomwiseCalculator(path=path, device=device, **kwargs)

elif arch == "sevennet":
# Disable constant-imported-as-non-constant
from sevenn._const import SEVENN_VERSION as __version__ # noqa: N811
from sevenn import __version__
from sevenn.sevennet_calculator import SevenNetCalculator

if isinstance(model_path, Path):
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2 changes: 1 addition & 1 deletion pyproject.toml
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Expand Up @@ -45,7 +45,7 @@ alignn = { version = "2024.5.27", optional = true }
chgnet = {version = "0.3.8", optional = true}
dgl = { version = "2.1.0", optional = true } # Pin due to matgl installation issues
matgl = { version = "1.1.3", optional = true}
sevenn = { version = "0.9.3", optional = true }
sevenn = { version = "0.10.0", optional = true }
torchdata = {version = "0.7.1", optional = true} # Pin due to dgl issue
torch_geometric = { version = "^2.5.3", optional = true }
ruff = "^0.5.7"
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