Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Load with weights_only=True #68

Merged
merged 5 commits into from
Sep 19, 2024
Merged

Load with weights_only=True #68

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
5 commits
Select commit Hold shift + click to select a range
ac2e91d
Load with `weights_only=True`
marvinfriede Sep 19, 2024
ac46009
Fix versions
marvinfriede Sep 19, 2024
294c333
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Sep 19, 2024
0cf992c
Skip 1.12.1
marvinfriede Sep 19, 2024
1ec6a71
Do not cover version specific code in coverage
marvinfriede Sep 19, 2024
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
7 changes: 6 additions & 1 deletion src/tad_dftd3/data/radii.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -26,6 +26,7 @@
from typing import Optional

import torch
from tad_mctc._version import __tversion__
from tad_mctc.data.radii import COV_D3

from ..typing import Tensor
Expand All @@ -51,8 +52,12 @@ def _load_vdw_rad_d3(
Tensor
VDW radii.
"""
kwargs: dict = {"map_location": device}
if __tversion__ > (1, 12, 1): # pragma: no cover
kwargs["weights_only"] = True

path = op.join(op.dirname(__file__), "vdw-d3.pt")
return torch.load(path).type(dtype).to(device)
return torch.load(path, **kwargs).type(dtype=dtype)


VDW_D3 = _load_vdw_rad_d3()
7 changes: 6 additions & 1 deletion src/tad_dftd3/reference.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -23,6 +23,7 @@
from typing import Optional

import torch
from tad_mctc._version import __tversion__

from .typing import Any, NoReturn, Tensor, get_default_device, get_default_dtype

Expand Down Expand Up @@ -177,8 +178,12 @@ def _load_c6(
Tensor
Reference C6 coefficients.
"""
kwargs: dict = {"map_location": device}
if __tversion__ > (1, 12, 1): # pragma: no cover
kwargs["weights_only"] = True

path = op.join(op.dirname(__file__), "reference-c6.pt")
return torch.load(path).type(dtype).to(device)
return torch.load(path, **kwargs).type(dtype=dtype)


class Reference:
Expand Down
Loading