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globus-labs / mof-generation-at-scale / 14043056000
48%

Build:
DEFAULT BRANCH: main
Ran 24 Mar 2025 06:41PM UTC
Jobs 1
Files 74
Run time 72min
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24 Mar 2025 06:29PM UTC coverage: 39.138% (+0.06%) from 39.079%
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Get component tests working on Aurora (#164)

* Change CP2K calls for aurora

* Specifically request the XPU version of torch

* Change how we assign affinity masks

* Remove IPEx

Seems deprecated/not necessary?

* Re-add a XPU accelerator

* Import IPEX and oneCCL if available

We'll need them for the ALCF-provided python env

* Update to use a virtual environment

* Reconfigure CP2K for Aurora

* Update for new environment

* Update for new environment, simple lammps install

* Do single GPU training for now

* Install openbabel with a wheel

* Add a README

* Add the venv script

20 of 31 new or added lines in 4 files covered. (64.52%)

2 existing lines in 2 files now uncovered.

3479 of 8889 relevant lines covered (39.14%)

0.39 hits per line

New Missed Lines in Diff

Lines Coverage ∆ File
1
35.42
5.18% mofa/generator.py
1
19.1
-3.0% mofa/utils/difflinker_sample_and_analyze.py
3
11.76
-2.52% mofa/difflinker_train.py
6
70.0
mofa/utils/lightning.py

Uncovered Existing Lines

Lines Coverage ∆ File
1
11.76
-2.52% mofa/difflinker_train.py
1
19.1
-3.0% mofa/utils/difflinker_sample_and_analyze.py
Jobs
ID Job ID Ran Files Coverage
1 14043056000.1 24 Mar 2025 06:41PM UTC 74
39.14
GitHub Action Run
Source Files on build 14043056000
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  • List 74
  • Changed 3
  • Source Changed 0
  • Coverage Changed 3
Coverage ∆ File Lines Relevant Covered Missed Hits/Line
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