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Update protomer hessian dataset to use new create_basic_dataset #90

Update protomer hessian dataset to use new create_basic_dataset

Update protomer hessian dataset to use new create_basic_dataset #90

Workflow file for this run

---
# test lifecycle processing
name: Test lifecycle
on:
pull_request:
branches:
- master
types:
- labeled
workflow_dispatch:
defaults:
run:
shell: bash -l {0}
jobs:
test-lifecycle:
if: contains(github.event.pull_request.labels.*.name, 'test-ci')
runs-on: ubuntu-latest
env:
OE_LICENSE: ${{ github.workspace }}/oe_license.txt
steps:
- name: Checkout code
uses: nschloe/action-cached-lfs-checkout@v1
- name: ensure we only have one instance running
uses: softprops/turnstyle@master
env:
GITHUB_TOKEN: ${{ secrets.GH_DANGERBOT_TOKEN_LIMITED }}
with:
abort-after-seconds: 60
- name: Additional info about the build
run: |
uname -a
df -h
ulimit -a
- name: Install environment
uses: mamba-org/setup-micromamba@v1
with:
environment-file: devtools/conda-envs/queued-submit.yaml
create-args: >-
python=3.11
cache-environment: true
- name: Environment Information
run: |
conda info
conda list
- name: Make oe_license.txt file from GH org secret "OE_LICENSE"
env:
OE_LICENSE_TEXT: ${{ secrets.OE_LICENSE }}
run: |
echo "${OE_LICENSE_TEXT}" > ${OE_LICENSE}
- name: Run lifecycle processing script
env:
GH_TOKEN: ${{ secrets.QCA_DATASET_SUBMISSION_PAT }}
QCA_USER: ${{ secrets.QCA_USER }}
QCA_KEY: ${{ secrets.QCA_KEY }}
run: |
python ./management/lifecycle-v2.py --run-tests