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Revert to pytorch installation with uv in CI #3826

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Revert to pytorch installation with uv in CI #3826

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4e5e9de
restore to uv install torch
DanielYang59 Jul 13, 2024
c9fa0dc
Merge branch 'master' into uv-install-torch
DanielYang59 Aug 3, 2024
df6fa1f
Merge branch 'master' into uv-install-torch
DanielYang59 Aug 4, 2024
8ffe96b
Merge branch 'master' into uv-install-torch
DanielYang59 Aug 5, 2024
69cca9a
Merge branch 'master' into uv-install-torch
DanielYang59 Aug 15, 2024
a0b3bcd
add missing torch install
DanielYang59 Aug 15, 2024
156304e
Merge branch 'master' into uv-install-torch
DanielYang59 Aug 16, 2024
7bc42c7
Merge branch 'master' into uv-install-torch
DanielYang59 Aug 16, 2024
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Merge branch 'master' into uv-install-torch
DanielYang59 Aug 20, 2024
e1e3fe2
Merge branch 'master' into uv-install-torch
DanielYang59 Aug 22, 2024
f396872
Merge branch 'master' into uv-install-torch
DanielYang59 Aug 22, 2024
d48cb28
Merge branch 'master' into uv-install-torch
DanielYang59 Aug 25, 2024
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Merge branch 'master' into uv-install-torch
DanielYang59 Sep 6, 2024
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Merge branch 'master' into uv-install-torch
DanielYang59 Sep 11, 2024
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Merge branch 'master' into uv-install-torch
DanielYang59 Sep 18, 2024
25a3a8e
Merge branch 'master' into uv-install-torch
DanielYang59 Oct 21, 2024
cfbc001
remove unnecessary comment
DanielYang59 Oct 21, 2024
c7f33f3
Merge branch 'master' into uv-install-torch
DanielYang59 Oct 22, 2024
3d4735e
Merge branch 'master' into uv-install-torch
DanielYang59 Oct 30, 2024
10ff49c
add UV_REQUEST_TIMEOUT
DanielYang59 Oct 30, 2024
85fd23f
Merge branch 'master' into uv-install-torch
DanielYang59 Nov 13, 2024
049a2a0
Merge branch 'master' into uv-install-torch
DanielYang59 Nov 14, 2024
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Merge branch 'master' into uv-install-torch
DanielYang59 Nov 16, 2024
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7 changes: 4 additions & 3 deletions .github/workflows/test.yml
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Expand Up @@ -74,15 +74,16 @@ jobs:
micromamba install -n pmg -c conda-forge bader enumlib openff-toolkit packmol pygraphviz tblite --yes

- name: Install pymatgen and dependencies via uv
env:
UV_HTTP_TIMEOUT: 300 # torch could easily timeout
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@DanielYang59 DanielYang59 Oct 30, 2024 •
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It seems pip install torch is quite flaky as well, and i don't think it's to be fixed anytime soon:

Occasional timeouts will happen.

but they suggesting increasing the timeout for pip instead, perhaps we could do the same to uv: https://docs.astral.sh/uv/configuration/environment/

HTTP_TIMEOUT (or UV_HTTP_TIMEOUT): If set, uv will use this value (in seconds) as the timeout for HTTP reads (default: 30 s).

run: |
micromamba activate pmg

pip install uv

# TODO1 (use uv over pip) uv install torch is flaky, track #3826
# TODO2 (pin torch version): DGL library (matgl) doesn't support torch > 2.2.1,
# TODO: DGL library (matgl) doesn't support torch > 2.2.1,
# see: https://discuss.dgl.ai/t/filenotfounderror-cannot-find-dgl-c-graphbolt-library/4302
pip install torch==2.2.1
uv pip install torch==2.2.1

uv pip install --editable '.[${{ matrix.config.extras }}]' --resolution=${{ matrix.config.resolution }}

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