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result_dir=$(./plex init -t tools/equibind.json -i '{"protein": ["testdata/binding/abl/7n9g.pdb"], "small_molecule": ["testdata/binding/abl/ZINC000003986735.sdf"]}' --scatteringMethod=dotProduct --autoRun=true -a test -a ci | grep 'Finished processing, results written to' | sed -n 's/^.*Finished processing, results written to //p' | sed 's/\/io.json//')
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# Get node list
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./bacalhau node list
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# Run the job
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./plex init -t tools/equibind-ci.json -i '{"protein": ["testdata/binding/abl/7n9g.pdb"], "small_molecule": ["testdata/binding/abl/ZINC000003986735.sdf"]}' --scatteringMethod=dotProduct --autoRun=true -a test -a ci | tee -a plex_run_output.log
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result_dir=$(cat plex_run_output.log | grep 'Finished processing, results written to' | sed -n 's/^.*Finished processing, results written to //p' | sed 's/\/io.json//')
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# chdir for outputs
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cd "$result_dir/entry-0/outputs"
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if [ "$(find . -name '*docked.sdf' | grep 'docked.sdf')" == "" ]; then
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echo "No docked files found"
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exit 1
@@ -234,25 +231,13 @@ jobs:
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find . -name '*docked.sdf' | grep 'docked.sdf'
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fi
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-
# revert back to local host for any other steps
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export BACALHAU_API_HOST="127.0.0.1"
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-
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- name: Run bacalhau describe
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# run always even when
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if: always()
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run: |
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# point towards prod env until docker in docker job launcher is fixed
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export BACALHAU_API_HOST=bacalhau.prod.labdao.xyz
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-
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# Execute permission
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chmod +x ./bacalhau
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./bacalhau version
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JOB_ID=$(./bacalhau list --output json | jq -r '.[0].State.JobID')
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./bacalhau describe ${JOB_ID}
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-
# revert back to local host for any other steps
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export BACALHAU_API_HOST="127.0.0.1"
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-
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- name: Run Gateway Integration Tests
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uses: ./.github/actions/gateway-tests
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@@ -262,25 +247,33 @@ jobs:
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run: |
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docker compose logs
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- name: Run docker logs to get additional logs
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# run always even when
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if: always()
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run: |
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docker ps -a
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for container in $(docker ps -qa); do echo ${container};docker logs ${container};done
./plex init -t tools/equibind-ci.json -i '{"protein": ["testdata/binding/abl/7n9g.pdb"], "small_molecule": ["testdata/binding/abl/ZINC000003986735.sdf"]}' --scatteringMethod=dotProduct --autoRun=true -a test -a ci | tee -a plex_run_output.log
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result_dir=$(cat plex_run_output.log | grep 'Finished processing, results written to' | sed -n 's/^.*Finished processing, results written to //p' | sed 's/\/io.json//')
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-
result_dir=$(./plex init -t tools/equibind.json -i '{"protein": ["testdata/binding/abl/7n9g.pdb"], "small_molecule": ["testdata/binding/abl/ZINC000003986735.sdf"]}' --scatteringMethod=dotProduct --autoRun=true -a test -a ci | grep 'Finished processing, results written to' | sed -n 's/^.*Finished processing, results written to //p' | sed 's/\/io.json//')
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cd "$result_dir/entry-0/outputs"
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ls -ltraR
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cat exitCode stderr stderr log.txt || true
@@ -396,12 +394,9 @@ jobs:
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fi
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- name: Run bacalhau describe
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#turn back on once baclahau docker in docker job launcher is fixed
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if: false
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#run always even when
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if: always()
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run: |
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# Execute permission
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chmod +x ./bacalhau
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./bacalhau version
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JOB_ID=$(./bacalhau list --output json | jq -r '.[0].State.JobID')
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./bacalhau describe ${JOB_ID}
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@@ -414,12 +409,20 @@ jobs:
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run: |
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docker compose logs
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- name: Run docker logs to get additional logs
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# run always even when
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if: always()
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run: |
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docker ps -a
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for container in $(docker ps -qa); do echo ${container};docker logs ${container};done
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