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Auto mp api key #156

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Auto mp api key #156

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e6b0832
aMerge branch 'adding-docstrings' of github.com:ulissigroup/catlas in…
KirbyBroderick Sep 8, 2022
b210fa5
Merge branch 'main' of github.com:ulissigroup/catlas into main
KirbyBroderick Sep 13, 2022
3185193
Merge branch 'main' of github.com:ulissigroup/catlas into main
KirbyBroderick Sep 13, 2022
cbd407a
infer api key from pmgrc.yaml
KirbyBroderick Sep 14, 2022
512b491
Merge branch 'main' into auto_mp_api_key
KirbyBroderick Sep 20, 2022
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4 changes: 0 additions & 4 deletions configs/dask_cluster/dask_operator/catlas-hybrid-cluster-github.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -14,8 +14,6 @@ spec:
env:
- name: OMP_NUM_THREADS
value: "1"
- name: MP_API_KEY
value: "your_api_key"
- name: PYTHONPATH
value: "/home/jovyan/ocp:/home/jovyan/catlas"
- name: NVIDIA_VISIBLE_DEVICES
Expand Down Expand Up @@ -127,8 +125,6 @@ spec:
value: "/home/jovyan/ocp:/home/jovyan/catlas"
- name: MALLOC_TRIM_THRESHOLD_
value: "0"
- name: MP_API_KEY
value: "your_api_key"
resources:
limits:
cpu: "2"
Expand Down
14 changes: 10 additions & 4 deletions configs/dask_cluster/dask_operator/catlas-hybrid-cluster.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -14,8 +14,8 @@ spec:
env:
- name: OMP_NUM_THREADS
value: "1"
- name: MP_API_KEY
value: "your_api_key"
# - name: MP_API_KEY
# value: 'your_api_key'
- name: PYTHONPATH
value: "/home/jovyan/ocp:/home/jovyan/catlas"
- name: NVIDIA_VISIBLE_DEVICES
Expand All @@ -41,6 +41,9 @@ spec:
- mountPath: /home/jovyan/dask-worker-space
name: shared-scratch
subPath: catlas/dask-worker-space
- mountPath: /home/jovyan/.pmgrc.yaml
name: workspace-inference
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I dont think this will work? The pmgrc.yaml is setup for use with MPRester from pymatgen?

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Looks like the best route might be to have people store their api keys as github secrets: https://kubernetes.io/docs/concepts/configuration/secret/#using-secrets-as-environment-variables

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just to be clear, these would not be github secrets they would be in kubernetes. Regardless, that feels just as clunky as the current solution? We could have a settings.py file where people add there MP_API key and we can imported where needed. i.e. from catlas.settings import MP_API_KEY. At least that would keep in central so you wouldnt have to make the change to every single worker config yml

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and try to read from environment variables first so we can export it to the workers for github actions if needed?

subPath: .pmgrc.yaml
volumes:
- name: shared-scratch
persistentVolumeClaim:
Expand Down Expand Up @@ -130,8 +133,8 @@ spec:
value: "/home/jovyan/ocp:/home/jovyan/catlas"
- name: MALLOC_TRIM_THRESHOLD_
value: "0"
- name: MP_API_KEY
value: "your_api_key"
# - name: MP_API_KEY
# value: 'your_api_key'
resources:
limits:
cpu: "2"
Expand All @@ -153,6 +156,9 @@ spec:
- mountPath: /home/jovyan/dask-worker-space
name: shared-scratch
subPath: catlas/dask-worker-space
- mountPath: /home/jovyan/.pmgrc.yaml
name: workspace-inference
subPath: .pmgrc.yaml
volumes:
- name: shared-scratch
persistentVolumeClaim:
Expand Down