cloudbuild.yaml

# Copyright 2026 Google LLC
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
#     http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.

# _BUILD_TARGET controls which components are built/deployed.
# Supported values (comma-separated):
#   all            - build and deploy everything (default)
#   viewer         - foldrun-viewer Cloud Run service
#   af2            - alphafold-components container
#   of3            - openfold3-components container
#   boltz2         - boltz2-components container
#   agent          - Agent Runtime only (no container rebuilds)
#   analysis       - foldrun-analysis-job Cloud Run Job
#
# The agent is automatically included whenever viewer, af2, of3, boltz2,
# or agent is in the target list (anything except analysis-only targets).
# Examples:
#   _BUILD_TARGET=of3            # rebuild OF3 container + redeploy agent
#   _BUILD_TARGET=agent          # redeploy agent only, no container rebuilds
#   _BUILD_TARGET=of3,viewer     # rebuild OF3 + viewer + redeploy agent
#   _BUILD_TARGET=analysis       # rebuild only the foldrun-analysis-job Cloud Run Job

steps:
  # ============================================================================
  # 1. FoldRun Viewer (Cloud Run Service)
  # ============================================================================
  - id: 'build-push-viewer'
    name: 'gcr.io/cloud-builders/docker'
    entrypoint: 'bash'
    args:
      - '-c'
      - |
        _t=",${_BUILD_TARGET},"
        if [[ "${_BUILD_TARGET}" == "all" ]] || [[ "$$_t" == *",viewer,"* ]]; then
          docker pull ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-viewer:latest || true
          docker build \
            -t ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-viewer:latest \
            --cache-from ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-viewer:latest \
            src/foldrun-viewer/
          docker push ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-viewer:latest
        else
          echo "Skipping viewer build (BUILD_TARGET=${_BUILD_TARGET})"
        fi
    waitFor: ['-']

  - id: 'deploy-viewer'
    name: 'gcr.io/google.com/cloudsdktool/cloud-sdk'
    entrypoint: bash
    args:
      - '-c'
      - |
        _t=",${_BUILD_TARGET},"
        if [[ "${_BUILD_TARGET}" == "all" ]] || [[ "$$_t" == *",viewer,"* ]]; then
          gcloud run deploy foldrun-viewer \
            --image ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-viewer:latest \
            --region ${_REGION} \
            --set-env-vars PROJECT_ID=$PROJECT_ID,BUCKET_NAME=${_BUCKET_NAME},REGION=${_REGION}
        else
          echo "Skipping viewer deploy (BUILD_TARGET=${_BUILD_TARGET})"
        fi
    waitFor: ['build-push-viewer']

  # ============================================================================
  # 2. Unified Analysis Job (Cloud Run Job)
  # ============================================================================
  - id: 'build-push-analysis'
    name: 'gcr.io/cloud-builders/docker'
    entrypoint: 'bash'
    args:
      - '-c'
      - |
        _t=",${_BUILD_TARGET},"
        if [[ "${_BUILD_TARGET}" == "all" ]] || [[ "$$_t" == *",analysis,"* ]]; then
          docker pull ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-analysis-job:latest || true
          docker build \
            -t ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-analysis-job:latest \
            --cache-from ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-analysis-job:latest \
            src/foldrun-analysis-job/
          docker push ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-analysis-job:latest
        else
          echo "Skipping analysis build (BUILD_TARGET=${_BUILD_TARGET})"
        fi
    waitFor: ['-']

  - id: 'deploy-analysis'
    name: 'gcr.io/google.com/cloudsdktool/cloud-sdk'
    entrypoint: bash
    args:
      - '-c'
      - |
        _t=",${_BUILD_TARGET},"
        if [[ "${_BUILD_TARGET}" == "all" ]] || [[ "$$_t" == *",analysis,"* ]]; then
          gcloud run jobs update foldrun-analysis-job \
            --image ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-analysis-job:latest \
            --region ${_REGION}
        else
          echo "Skipping analysis deploy (BUILD_TARGET=${_BUILD_TARGET})"
        fi
    waitFor: ['build-push-analysis']

  # ============================================================================
  # 3. AlphaFold2 Components (Pipeline Container Image)
  # ============================================================================
  - id: 'build-push-af2-components'
    name: 'gcr.io/cloud-builders/docker'
    entrypoint: 'bash'
    args:
      - '-c'
      - |
        _t=",${_BUILD_TARGET},"
        if [[ "${_BUILD_TARGET}" == "all" ]] || [[ "$$_t" == *",af2,"* ]]; then
          docker pull ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/alphafold-components:latest || true
          docker build \
            --build-arg AF2_VERSION=${_AF2_VERSION} \
            -t ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/alphafold-components:latest \
            --cache-from ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/alphafold-components:latest \
            src/alphafold-components/
          docker push ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/alphafold-components:latest
        else
          echo "Skipping af2-components build (BUILD_TARGET=${_BUILD_TARGET})"
        fi
    waitFor: ['-']

  # ============================================================================
  # 3b. OpenFold3 Components (Pipeline Container Image)
  # ============================================================================
  - id: 'build-push-of3-components'
    name: 'gcr.io/cloud-builders/docker'
    entrypoint: 'bash'
    args:
      - '-c'
      - |
        _t=",${_BUILD_TARGET},"
        if [[ "${_BUILD_TARGET}" == "all" ]] || [[ "$$_t" == *",of3,"* ]]; then
          docker build \
            --build-arg OF3_VERSION=${_OF3_VERSION} \
            -t ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/openfold3-components:latest \
            src/openfold3-components/
          docker push ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/openfold3-components:latest
        else
          echo "Skipping of3-components build (BUILD_TARGET=${_BUILD_TARGET})"
        fi
    waitFor: ['-']

  # ============================================================================
  # 3c. Boltz-2 Components (Pipeline Container Image)
  # ============================================================================
  - id: 'build-push-boltz2-components'
    name: 'gcr.io/cloud-builders/docker'
    entrypoint: 'bash'
    args:
      - '-c'
      - |
        _t=",${_BUILD_TARGET},"
        if [[ "${_BUILD_TARGET}" == "all" ]] || [[ "$$_t" == *",boltz2,"* ]]; then
          docker pull ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/boltz2-components:latest || true
          docker build \
            --build-arg BOLTZ_VERSION=${_BOLTZ_VERSION} \
            --cache-from ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/boltz2-components:latest \
            -t ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/boltz2-components:latest \
            src/boltz2-components/
          docker push ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/boltz2-components:latest
        else
          echo "Skipping boltz2-components build (BUILD_TARGET=${_BUILD_TARGET})"
        fi
    waitFor: ['-']

  # ============================================================================
  # 4. FoldRun Agent (Agent Runtime)
  # Runs whenever any component or the agent itself is in the target.
  # Skipped only for analysis-job-only targets.
  # ============================================================================
  - id: 'deploy-agent-engine'
    name: 'python:3.12-slim'
    dir: 'foldrun-agent'
    entrypoint: bash
    args:
      - '-c'
      - |
        _t=",${_BUILD_TARGET},"
        _skip_agent=false
        # Skip agent deploy only when every token in BUILD_TARGET ends with "-analysis"
        if [[ "${_BUILD_TARGET}" != "all" ]] && [[ "${_BUILD_TARGET}" != "agent" ]] && \
           [[ "${_BUILD_TARGET}" != *",agent,"* ]] && \
           [[ "$$_t" != *",viewer,"* ]] && [[ "$$_t" != *",af2,"* ]] && \
           [[ "$$_t" != *",of3,"* ]] && [[ "$$_t" != *",boltz2,"* ]]; then
          _skip_agent=true
        fi

        if [[ "$$_skip_agent" == "true" ]]; then
          echo "Skipping agent deploy (BUILD_TARGET=${_BUILD_TARGET})"
          exit 0
        fi

        apt-get update && apt-get install -y curl
        curl -LsSf https://astral.sh/uv/install.sh | sh
        export PATH="$$HOME/.local/bin:$$PATH"
        uv sync --frozen

        (uv export --frozen --no-hashes --no-header --no-dev --no-emit-project --no-annotate > foldrun_app/app_utils/.requirements.txt 2>/dev/null || \
         uv export --frozen --no-hashes --no-header --no-dev --no-emit-project > foldrun_app/app_utils/.requirements.txt)

        export GCP_PROJECT_ID=$PROJECT_ID
        export GCP_REGION=${_REGION}
        export GCS_BUCKET_NAME=${_BUCKET_NAME}
        export GCS_DATABASES_BUCKET=${_DATABASES_BUCKET}
        export FILESTORE_ID=${_FILESTORE_ID}
        export ALPHAFOLD_COMPONENTS_IMAGE=${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/alphafold-components:latest
        export OPENFOLD3_COMPONENTS_IMAGE=${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/openfold3-components:latest
        export BOLTZ2_COMPONENTS_IMAGE=${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/boltz2-components:latest

        ENV_VARS="GOOGLE_CLOUD_LOCATION=${_MODEL_ENDPOINT_LOCATION},GCP_REGION=${_REGION},GCS_BUCKET_NAME=${_BUCKET_NAME},GCS_DATABASES_BUCKET=${_DATABASES_BUCKET},FILESTORE_ID=${_FILESTORE_ID},ALPHAFOLD_COMPONENTS_IMAGE=${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/alphafold-components:latest,OPENFOLD3_COMPONENTS_IMAGE=${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/openfold3-components:latest,BOLTZ2_COMPONENTS_IMAGE=${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/boltz2-components:latest,FOLDRUN_VIEWER_URL=${_FOLDRUN_VIEWER_URL},ANALYSIS_JOB_NAME=foldrun-analysis-job,PIPELINES_SA_EMAIL=${_PIPELINES_SA_EMAIL}"
        [[ -n "${_NETWORK_ID}" ]] && ENV_VARS="$$ENV_VARS,NETWORK=${_NETWORK_ID}"
        [[ -n "${_NETWORK_PROJECT_NUMBER}" ]] && ENV_VARS="$$ENV_VARS,NETWORK_PROJECT_NUMBER=${_NETWORK_PROJECT_NUMBER}"

        uv run -m foldrun_app.app_utils.deploy \
          --project=$PROJECT_ID \
          --location=${_REGION} \
          --service-account=${_AGENT_SA_EMAIL} \
          --set-env-vars=$$ENV_VARS
    waitFor: ['build-push-af2-components', 'build-push-of3-components', 'build-push-boltz2-components']

  # ============================================================================
  # 4b. FoldRun A2A Proxy (Cloud Run Service — optional)
  # ============================================================================
  - id: 'build-push-a2a'
    name: 'gcr.io/cloud-builders/docker'
    entrypoint: 'bash'
    args:
      - '-c'
      - |
        _t=",${_BUILD_TARGET},"
        _skip_agent=false
        if [[ "${_BUILD_TARGET}" != "all" ]] && [[ "${_BUILD_TARGET}" != "agent" ]] && \
           [[ "$$_t" != *",viewer,"* ]] && [[ "$$_t" != *",af2,"* ]] && \
           [[ "$$_t" != *",of3,"* ]] && [[ "$$_t" != *",boltz2,"* ]]; then
          _skip_agent=true
        fi
        if [[ "$$_skip_agent" == "true" ]]; then
          echo "Skipping a2a build (BUILD_TARGET=${_BUILD_TARGET})"
          exit 0
        fi
        docker pull ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-a2a:latest || true
        docker build \
          -t ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-a2a:latest \
          --cache-from ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-a2a:latest \
          src/foldrun-a2a/
        docker push ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-a2a:latest
    waitFor: ['-']

  - id: 'deploy-a2a'
    name: 'gcr.io/google.com/cloudsdktool/cloud-sdk'
    entrypoint: bash
    args:
      - '-c'
      - |
        _t=",${_BUILD_TARGET},"
        _skip_agent=false
        if [[ "${_BUILD_TARGET}" != "all" ]] && [[ "${_BUILD_TARGET}" != "agent" ]] && \
           [[ "$$_t" != *",viewer,"* ]] && [[ "$$_t" != *",af2,"* ]] && \
           [[ "$$_t" != *",of3,"* ]] && [[ "$$_t" != *",boltz2,"* ]]; then
          _skip_agent=true
        fi
        if [[ "$$_skip_agent" == "true" ]]; then
          echo "Skipping a2a deploy (BUILD_TARGET=${_BUILD_TARGET})"
          exit 0
        fi

        AGENT_ENGINE_RESOURCE=$$(python3 -c "import json; print(json.load(open('/workspace/foldrun-agent/deployment_metadata.json'))['remote_agent_engine_id'])")
        echo "Agent Runtime resource: $$AGENT_ENGINE_RESOURCE"

        gcloud run deploy foldrun-a2a \
          --image ${_REGION}-docker.pkg.dev/$PROJECT_ID/${_AR_REPO}/foldrun-a2a:latest \
          --region ${_REGION} \
          --service-account ${_AGENT_SA_EMAIL} \
          --set-env-vars GOOGLE_CLOUD_PROJECT=$PROJECT_ID,GOOGLE_CLOUD_REGION=${_REGION},AGENT_ENGINE_RESOURCE=$$AGENT_ENGINE_RESOURCE \
          --memory 512Mi \
          --cpu 1 \
          --timeout 300 \
          --min-instances 0 \
          --max-instances 5 \
          --no-allow-unauthenticated

        A2A_URL=$$(gcloud run services describe foldrun-a2a \
          --region ${_REGION} --format 'value(status.url)')

        gcloud run services update foldrun-a2a \
          --region ${_REGION} \
          --update-env-vars AGENT_BASE_URL=$$A2A_URL

        echo ""
        echo "A2A proxy deployed: $$A2A_URL"
        echo "Agent card:         $$A2A_URL/.well-known/agent.json"
    waitFor: ['build-push-a2a', 'deploy-agent-engine']

  # ============================================================================
  # 5. Data Download — handled locally by deploy-all.sh, not here.
  # ============================================================================

substitutions:
  _REGION: us-central1
  _NETWORK_ID: ""
  _NETWORK_PROJECT_NUMBER: ""
  _AR_REPO: foldrun-repo
  _BUCKET_NAME: required_bucket_name
  _DATABASES_BUCKET: required_databases_bucket_name
  _FILESTORE_ID: foldrun-nfs
  _AGENT_SA_EMAIL: required_sa_email
  _PIPELINES_SA_EMAIL: required_pipelines_sa_email
  _AF2_VERSION: "42719e135a62438aa651d2bc1d143626083c3703"
  _OF3_VERSION: "0.4.0"
  _BOLTZ_VERSION: "2.2.1"
  _BUILD_TARGET: "all"
  _MODEL_ENDPOINT_LOCATION: "global"
  _FOLDRUN_VIEWER_URL: ""
timeout: 3600s
options:
  logging: CLOUD_LOGGING_ONLY