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14 changes: 7 additions & 7 deletions .github/workflows/build.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -24,7 +24,7 @@ jobs:
sudo rm -rf /usr/share/dotnet /usr/local/lib/android /opt/ghc /opt/hostedtoolcache/CodeQL
sudo docker image prune --all --force
sudo docker builder prune -a

- name: checkout
uses: actions/checkout@3d3c42e5aac5ba805825da76410c181273ba90b1 # v7.0.1

Expand All @@ -47,11 +47,11 @@ jobs:

- name: Set up Docker Buildx
id: buildx
uses: docker/setup-buildx-action@f87e5991a6d7451dcb8d9637bfbc97413f497069 # v4.4.1
uses: docker/setup-buildx-action@37fe631027851001ddb9b187196cc803df7f5f0e # v4.3.0

- name: Build and push by digest
if: github.event_name == 'pull_request'
uses: docker/build-push-action@c3c9e263c25d99ce0380d002d59b67737d91b0dc # v7.4.0
uses: docker/build-push-action@53b7df96c91f9c12dcc8a07bcb9ccacbed38856a # v7.3.0
with:
file: ./docker/Dockerfile
platforms: ${{ matrix.platform }}
Expand All @@ -65,7 +65,7 @@ jobs:
run: |
docker run -t ghcr.io/${{ vars.ORG_REPO }}/${{ github.event.repository.name }}:latest bash -c " \
pip install pytest nbmake; \
find . -name '*.ipynb' | pytest --nbmake --nbmake-timeout=3600; "
find . -name '*.ipynb' | pytest --nbmake --nbmake-timeout=3600;"

- name: Authenticate with GHCR
if: github.event_name != 'pull_request'
Expand All @@ -79,7 +79,7 @@ jobs:
- name: Build and push by digest
if: github.event_name != 'pull_request'
id: build
uses: docker/build-push-action@c3c9e263c25d99ce0380d002d59b67737d91b0dc # v7.4.0
uses: docker/build-push-action@53b7df96c91f9c12dcc8a07bcb9ccacbed38856a # v7.3.0
with:
file: ./docker/Dockerfile
platforms: ${{ matrix.platform }}
Expand All @@ -93,7 +93,7 @@ jobs:
run: |
docker run -t ghcr.io/${{ vars.ORG_REPO }}/${{ github.event.repository.name }}@${{ steps.build.outputs.digest }} bash -c " \
pip install pytest nbmake; \
find . -name '*.ipynb' | pytest --nbmake --nbmake-timeout=3600; "
find . -name '*.ipynb' | pytest --nbmake --nbmake-timeout=3600;"

- name: Export digest
if: github.event_name != 'pull_request'
Expand Down Expand Up @@ -135,7 +135,7 @@ jobs:

- name: Set up Docker Buildx
id: buildx
uses: docker/setup-buildx-action@f87e5991a6d7451dcb8d9637bfbc97413f497069 # v4.4.1
uses: docker/setup-buildx-action@37fe631027851001ddb9b187196cc803df7f5f0e # v4.3.0

- name: Metadata
id: meta
Expand Down
10,484 changes: 0 additions & 10,484 deletions 1_INTRODUCTION/5fdr_A.inpcrd

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49,996 changes: 0 additions & 49,996 deletions 1_INTRODUCTION/5fdr_A.prmtop

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319 changes: 0 additions & 319 deletions 1_INTRODUCTION/analysis.ipynb

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