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(Not) Use setup-uv in CI tests workflow (#4063)
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* push a random commit to get a baseline

* install native micromamba + native uv

* trigger uv to run a second time, hopefully cached

* get a benchmark of pip install uv

* remove manual install of build dependencies

* more verbose uv

* remove debug output
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DanielYang59 authored Sep 13, 2024
1 parent 6bb2938 commit 7743ac7
Showing 1 changed file with 3 additions and 6 deletions.
9 changes: 3 additions & 6 deletions .github/workflows/test.yml
Original file line number Diff line number Diff line change
Expand Up @@ -68,25 +68,22 @@ jobs:
run: |
micromamba create -n pmg python=${{ matrix.config.python }} --yes
- name: Install uv
run: micromamba run -n pmg pip install uv

- name: Install ubuntu-only conda dependencies
if: matrix.config.os == 'ubuntu-latest'
run: |
micromamba install -n pmg -c conda-forge bader enumlib openff-toolkit packmol pygraphviz tblite --yes
- name: Install pymatgen and dependencies
- name: Install pymatgen and dependencies via uv
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,
# see: https://discuss.dgl.ai/t/filenotfounderror-cannot-find-dgl-c-graphbolt-library/4302
pip install torch==2.2.1
uv pip install cython setuptools wheel
uv pip install --editable '.[${{ matrix.config.extras }}]' --resolution=${{ matrix.config.resolution }}
- name: Install optional Ubuntu dependencies
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