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Iss5 freddy add packaging#6

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FreddyWordingham wants to merge 8 commits into
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iss5-freddy-add_packaging
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Iss5 freddy add packaging#6
FreddyWordingham wants to merge 8 commits into
mainfrom
iss5-freddy-add_packaging

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@FreddyWordingham
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@mikkelbue I've added a pyproject.toml file which will use a local copy of twinlab (that is expected to sit in the same directory as achlys-uq:

.
├── achlys-uq
│   ├── LICENSE
│   ├── README.md
│   ├── achlys-uq
│   ├── build.sh
│   ├── docker
│   ├── poetry.lock
│   ├── pyproject.toml
│   └── scripts
├── twinLab
│   ├── README.md
│   ├── examples
│   ├── poetry.lock
│   ├── pyproject.toml
│   └── twinlab
...

So on a blank machine you should be able to run the example notebook with the commands:

git clone git@github.com:digiLab-ai/twinLab.git
git clone git@github.com:digiLab-ai/achlys-uq.git
cd achlys-uq
poetry install
poetry run jupyter notebook

I have checked this locally.

A future issue will be to add a CI pipeline that tests this on updates to main branch

@FreddyWordingham FreddyWordingham self-assigned this Sep 13, 2022
@FreddyWordingham
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Currently running the achlys-uq/surrogate/surrogate.py is failing on my local machine with the error:

/Users/fword/Library/Caches/pypoetry/virtualenvs/achlys-uq-VmNOaQfj-py3.10/lib/python3.10/site-packages/linear_operator/utils/linear_cg.py:318: NumericalWarning: CG terminated in 1000 iterations with average residual norm 0.04824003204703331 which is larger than the tolerance of 0.01 specified by linear_operator.settings.cg_tolerance. If performance is affected, consider raising the maximum number of CG iterations by running code in a linear_operator.settings.max_cg_iterations(value) context.

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