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Merge branch 'main' of https://github.com/PNNL-CompBio/coderdata into documentation-staging
Pulling changes from main so documentation can be updated all at once.
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.github/workflows/build.yml

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@@ -25,7 +25,7 @@ jobs:
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- name: Build and push broad sanger omics
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uses: docker/build-push-action@v3
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with:
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file: ./build/docker/Dockerfile.broad_sanger_omics
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file: ./coderbuild/docker/Dockerfile.broad_sanger_omics
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tags: |
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sgosline/broad-sanger-omics:latest
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sgosline/broad-sanger-omics:${{ github.ref_name }}
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- name: Build and push broad sanger experiment
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uses: docker/build-push-action@v3
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with:
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file: ./build/docker/Dockerfile.broad_sanger_exp
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file: ./coderbuild/docker/Dockerfile.broad_sanger_exp
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tags: |
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sgosline/broad-sanger-exp:latest
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sgosline/broad-sanger-exp:${{ github.ref_name }}
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- name: Build and push genes
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uses: docker/build-push-action@v3
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with:
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file: ./build/docker/Dockerfile.genes
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file: ./coderbuild/docker/Dockerfile.genes
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tags: |
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sgosline/genes:latest
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sgosline/genes:${{ github.ref_name }}
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- name: Build and push hcmi
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uses: docker/build-push-action@v3
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with:
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file: ./build/docker/Dockerfile.hcmi
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file: ./coderbuild/docker/Dockerfile.hcmi
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tags: |
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sgosline/hcmi:latest
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sgosline/hcmi:${{ github.ref_name }}
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push: true
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platforms: linux/amd64
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build-cptac:
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# build-cptac:
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# runs-on: ubuntu-latest
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# steps:
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# - name: Checkout
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# uses: actions/checkout@v3
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# - name: Set up QEMU
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# uses: docker/setup-qemu-action@v3
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# - name: Set up Docker Buildx
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# uses: docker/setup-buildx-action@v3
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# - name: Login to DockerHub
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# uses: docker/login-action@v3
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# with:
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# username: ${{ secrets.DOCKERHUB_USERNAME }}
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# password: ${{ secrets.DOCKERHUB_PASSWORD }}
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# - name: Build and push cptac
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# uses: docker/build-push-action@v3
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# with:
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# file: ./coderbuild/docker/Dockerfile.cptac
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# tags: |
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# sgosline/cptac:latest
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# sgosline/cptac:${{ github.ref_name }}
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# push: true
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# platforms: linux/amd64
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build-mpnst:
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runs-on: ubuntu-latest
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steps:
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- name: Checkout
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with:
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username: ${{ secrets.DOCKERHUB_USERNAME }}
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password: ${{ secrets.DOCKERHUB_PASSWORD }}
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- name: Build and push cptac
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- name: Build and push mpnst
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uses: docker/build-push-action@v3
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with:
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file: ./build/docker/Dockerfile.cptac
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file: ./coderbuild/docker/Dockerfile.mpnst
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tags: |
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sgosline/cptac:latest
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sgosline/cptac:${{ github.ref_name }}
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sgosline/mpnst:latest
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sgosline/mpnst:${{ github.ref_name }}
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push: true
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platforms: linux/amd64
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build-mpnst:
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build-beataml:
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runs-on: ubuntu-latest
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steps:
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- name: Checkout
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with:
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username: ${{ secrets.DOCKERHUB_USERNAME }}
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password: ${{ secrets.DOCKERHUB_PASSWORD }}
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- name: Build and push mpnst
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- name: Build and push beataml
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uses: docker/build-push-action@v3
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with:
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file: ./build/docker/Dockerfile.mpnst
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file: ./coderbuild/docker/Dockerfile.beataml
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tags: |
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sgosline/mpnst:latest
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sgosline/mpnst:${{ github.ref_name }}
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sgosline/beataml:latest
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sgosline/beataml:${{ github.ref_name }}
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push: true
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platforms: linux/amd64
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build-beataml:
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build-pancreatic:
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runs-on: ubuntu-latest
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steps:
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- name: Checkout
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with:
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username: ${{ secrets.DOCKERHUB_USERNAME }}
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password: ${{ secrets.DOCKERHUB_PASSWORD }}
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- name: Build and push beataml
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- name: Build and push pancreatic
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uses: docker/build-push-action@v3
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with:
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file: ./build/docker/Dockerfile.beataml
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file: ./coderbuild/docker/Dockerfile.pancreatic
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tags: |
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sgosline/beataml:latest
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sgosline/beataml:${{ github.ref_name }}
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sgosline/pancreatic:latest
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sgosline/pancreatic:${{ github.ref_name }}
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push: true
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platforms: linux/amd64
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build-pancpdo:
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build-upload:
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runs-on: ubuntu-latest
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steps:
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- name: Checkout
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with:
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username: ${{ secrets.DOCKERHUB_USERNAME }}
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password: ${{ secrets.DOCKERHUB_PASSWORD }}
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- name: Build and push pancpdo
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- name: Build and push upload
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uses: docker/build-push-action@v3
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with:
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file: ./build/docker/Dockerfile.pancpdo
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file: ./coderbuild/docker/Dockerfile.upload
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tags: |
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sgosline/pancpdo:latest
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sgosline/pancpdo:${{ github.ref_name }}
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sgosline/upload:latest
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sgosline/upload:${{ github.ref_name }}
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push: true
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platforms: linux/amd64
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build-upload:
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build-sarcoma:
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runs-on: ubuntu-latest
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- name: Checkout
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with:
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username: ${{ secrets.DOCKERHUB_USERNAME }}
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password: ${{ secrets.DOCKERHUB_PASSWORD }}
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- name: Build and push upload
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- name: Build and push sarcoma
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uses: docker/build-push-action@v3
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with:
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file: ./build/docker/Dockerfile.upload
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file: ./coderbuild/docker/Dockerfile.sarcoma
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tags: |
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sgosline/upload:latest
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sgosline/upload:${{ github.ref_name }}
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sgosline/sarcoma:latest
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sgosline/sarcoma:${{ github.ref_name }}
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push: true
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platforms: linux/amd64
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build-liver:
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runs-on: ubuntu-latest
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steps:
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- name: Checkout
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uses: actions/checkout@v3
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- name: Set up QEMU
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uses: docker/setup-qemu-action@v3
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- name: Set up Docker Buildx
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uses: docker/setup-buildx-action@v3
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- name: Login to DockerHub
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uses: docker/login-action@v3
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with:
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username: ${{ secrets.DOCKERHUB_USERNAME }}
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password: ${{ secrets.DOCKERHUB_PASSWORD }}
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- name: Build and push liver
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uses: docker/build-push-action@v3
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with:
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file: ./coderbuild/docker/Dockerfile.liver
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tags: |
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sgosline/liver:latest
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sgosline/liver:${{ github.ref_name }}
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push: true
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platforms: linux/amd64
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build-bladder:
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runs-on: ubuntu-latest
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steps:
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- name: Checkout
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uses: actions/checkout@v3
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- name: Set up QEMU
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uses: docker/setup-qemu-action@v3
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- name: Set up Docker Buildx
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uses: docker/setup-buildx-action@v3
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- name: Login to DockerHub
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uses: docker/login-action@v3
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with:
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username: ${{ secrets.DOCKERHUB_USERNAME }}
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password: ${{ secrets.DOCKERHUB_PASSWORD }}
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- name: Build and push bladder
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uses: docker/build-push-action@v3
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with:
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file: ./coderbuild/docker/Dockerfile.bladder
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tags: |
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sgosline/bladder:latest
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sgosline/bladder:${{ github.ref_name }}
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push: true
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platforms: linux/amd64
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build-colorectal:
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runs-on: ubuntu-latest
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steps:
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- name: Checkout
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uses: actions/checkout@v3
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- name: Set up QEMU
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uses: docker/setup-qemu-action@v3
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- name: Set up Docker Buildx
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uses: docker/setup-buildx-action@v3
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- name: Login to DockerHub
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uses: docker/login-action@v3
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with:
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username: ${{ secrets.DOCKERHUB_USERNAME }}
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password: ${{ secrets.DOCKERHUB_PASSWORD }}
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- name: Build and push colorectal
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uses: docker/build-push-action@v3
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with:
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file: ./coderbuild/docker/Dockerfile.colorectal
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tags: |
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sgosline/colorectal:latest
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sgosline/colorectal:${{ github.ref_name }}
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push: true
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platforms: linux/amd64
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build-novartis:
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runs-on: ubuntu-latest
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steps:
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- name: Checkout
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uses: actions/checkout@v3
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- name: Set up QEMU
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uses: docker/setup-qemu-action@v3
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- name: Set up Docker Buildx
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uses: docker/setup-buildx-action@v3
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- name: Login to DockerHub
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uses: docker/login-action@v3
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with:
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username: ${{ secrets.DOCKERHUB_USERNAME }}
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password: ${{ secrets.DOCKERHUB_PASSWORD }}
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- name: Build and push novartis
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uses: docker/build-push-action@v3
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with:
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file: ./coderbuild/docker/Dockerfile.novartis
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tags: |
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sgosline/novartis:latest
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sgosline/novartis:${{ github.ref_name }}
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push: true
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platforms: linux/amd64

.github/workflows/main.yml

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This file was deleted.

README.md

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@@ -36,22 +36,22 @@ please see the [schema description](schema/README.md).
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## Building a local version
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The build process can be found in our [build
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directory](build/README.md). Here you can follow the instructions to
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The build process can be found in our [coderbuild
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directory](coderbuild/README.md). Here you can follow the instructions to
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build your own local copy of the data on your machine.
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## Adding a new dataset
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We have standardized the build process so an additional dataset can be
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We have standardized the build (coderbuild) process so an additional dataset can be
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built locally or as part of the next version of coder. Here are the
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steps to follow:
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1. First visit the [build
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directory](build/README.md) and ensure you can build a local copy of
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1. First visit the [coderbuild
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directory](coderbuild/README.md) and ensure you can build a local copy of
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CoderData.
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2. Checkout this repository and create a subdirectory of the
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[build directory](build) with your own build files.
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[coderbuild directory](coderbuild) with your own build files.
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3. Develop your scripts to build the data files according to our
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[LinkML Schema](schema/coderdata.yaml]). This will require collecting
@@ -66,10 +66,10 @@ validator](https://linkml.io/linkml/data/validating-data) together
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with our schema file.
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You can use the following scripts as part of your build process:
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- [build/utils/fit_curve.py](build/utils/fit_curve.py): This script
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- [coderbuild/utils/fit_curve.py](coderbuild/utils/fit_curve.py): This script
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takes dose-response data and generates the dose-response statistics
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required by CoderData/
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- [build/utils/pubchem_retrieval.py](build/utils/pubchem_retreival.py):
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- [coderbuild/utils/pubchem_retrieval.py](coderbuild/utils/pubchem_retreival.py):
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This script retreives structure and drug synonym information
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required to populate the `Drug` table.
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| shell script | arguments | description |
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|------------------|--------------------------|---------------------|
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| `build_samples.sh` | [latest_samples] | Latest version of samples generated by coderdata build |
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| `build_samples.sh` | [latest_samples] | Latest version of samples generated by coderbuild |
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| `build_omics.sh` | [gene file] [samplefile] | This includes the `genes.csv` that was generated in the original build as well as the sample file generated above. |
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| `build_drugs.sh` | [drugfile1,drugfile2,...] | This includes a comma-delimited list of all drugs files generated from previous build |
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| `build_exp.sh`| [samplfile ] [drugfile] | sample file and drug file generated by previous scripts |
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5. Put the Docker container file inside the [Docker
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directory](./build/docker) with the name
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directory](./coderbuild/docker) with the name
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`Dockerfile.[datasetname]`.
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6. Run `build_all.py` from the root directory, which should now add in

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