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75 changes: 37 additions & 38 deletions .github/workflows/build.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@ name: ci/cd
on:
workflow_dispatch:
schedule:
- cron: '30 9 * * 1,3' # runs workflow every Monday and Wednesday at 9:30 UTC.
- cron: '30 9 * * 1' # runs workflow every Monday and Wednesday at 9:30 UTC.
pull_request:

jobs:
Expand Down Expand Up @@ -145,7 +145,6 @@ jobs:
shell: bash
run: |
docker run -t ghcr.io/${{ vars.ORG_REPO }}/${{ github.event.repository.name }}:dev bash -c " \
conda install mamba; \
mamba install -c conda-forge -y aiida-core; "

tags:
Expand Down Expand Up @@ -180,39 +179,39 @@ jobs:
event-type: build
client-payload: '{"repo": "${{ github.event.repository.name }}", "tag": "${{ needs.build.outputs.tag }}"}'

# triggers:
# runs-on: ubuntu-24.04
# if: github.event_name != 'pull_request'
# needs:
# - build
# - tags
# strategy:
# matrix:
# repos: ["aiida-gpcr-workshop",
# "aiida-lysozyme-workshop",
# "basic-analysis-workshop",
# "basic-statistics-workshop",
# "beginners-workshop",
# "clustering-workshop",
# "codeentropy-workshop",
# "docking-workshop",
# "enhanced-sampling-workshop",
# "equilibration-workshop",
# "introamber-workshop",
# "nemd-workshop",
# "openff-workshop",
# "pca-workshop",
# "pdb2pqr-workshop",
# "python-workshop",
# "qmmm-workshop",
# "structure-validation-workshop",
# "ubiquitin-analysis-workshop"]
# name: jupyterhub-${{ matrix.jupyter-base }}
# steps:
# - name: Trigger to build workshops
# uses: peter-evans/repository-dispatch@v3.0.0
# with:
# token: ${{ secrets.BUILD_TOKEN }}
# repository: ccpbiosim/${{ matrix.repos }}
# event-type: build
# client-payload: '{"tag": "${{ needs.build.outputs.tag }}"}'
triggers:
runs-on: ubuntu-24.04
if: github.event_name != 'pull_request'
needs:
- build
- tags
strategy:
matrix:
repos: ["aiida-gpcr-workshop",
"aiida-lysozyme-workshop",
"basic-analysis-workshop",
"basic-statistics-workshop",
#"beginners-workshop",
"clustering-workshop",
#"codeentropy-workshop",
"docking-workflow",
#"enhanced-sampling-workshop",
"equilibration-workshop",
#"introamber-workshop",
#"nemd-workshop",
#"openff-workshop",
"pca-workshop",
"pdb2pqr-workshop",
"python-workshop",
"qmmm-workshop",
"structure-validation-workshop",
"ubiquitin-analysis-workshop"]
name: jupyterhub-${{ matrix.jupyter-base }}
steps:
- name: Trigger to build workshops
uses: peter-evans/repository-dispatch@v3.0.0
with:
token: ${{ secrets.BUILD_TOKEN }}
repository: ccpbiosim/${{ matrix.repos }}
event-type: build
client-payload: '{"tag": "${{ needs.build.outputs.tag }}"}'
2 changes: 1 addition & 1 deletion Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@
FROM quay.io/jupyter/base-notebook:82d322f00937

LABEL maintainer="James Gebbie-Rayet <james.gebbie@stfc.ac.uk>"
LABEL org.opencontainers.image.source=https://github.com/jimboid/biosim-jupyterhub-base
LABEL org.opencontainers.image.source=https://github.com/ccpbiosim/jupyterhub-base
LABEL org.opencontainers.image.description="A base container image derived from jupyterhub base containers with some extra utilities installed."
LABEL org.opencontainers.image.licenses=MIT

Expand Down