diff --git a/i14/templates/align-template.yaml b/i14/templates/align-template.yaml index c7dcfe3..86c14e4 100644 --- a/i14/templates/align-template.yaml +++ b/i14/templates/align-template.yaml @@ -69,13 +69,15 @@ spec: value: /tmp command: [bash] source: | - python -m papermill /tmp/notebook.ipynb /tmp/notebook-parametrized.ipynb \ + python -m papermill /tmp/notebook.ipynb "{{`{{ inputs.parameters.outpath }}`}}/align-notebook.ipynb" \ -p inpath "{{`{{ inputs.parameters.inpath }}`}}" \ -p maskpath "{{`{{ inputs.parameters.maskpath }}`}}" \ -p complexpath "{{`{{ inputs.parameters.complexpath }}`}}" \ - -p outpath "{{`{{ inputs.parameters.outpath }}`}}" - python -m jupyter nbconvert /tmp/notebook-parametrized.ipynb --to notebook --execute --allow-errors --output align-notebook --output-dir "{{`{{ inputs.parameters.outpath }}`}}" - python -m jupyter nbconvert "{{`{{ inputs.parameters.outpath }}`}}/align-notebook.ipynb" --to html --output align-output --output-dir "{{`{{ inputs.parameters.outpath }}`}}" + -p outpath "{{`{{ inputs.parameters.outpath }}`}}" \ + --prepare-only + python -m jupyter nbconvert "{{`{{ inputs.parameters.outpath }}`}}/align-notebook.ipynb" \ + --to html --execute --allow-errors --output align-output \ + --output-dir "{{`{{ inputs.parameters.outpath }}`}}" volumeMounts: - name: session mountPath: "{{`{{ workflow.parameters.visitdir }}`}}" diff --git a/i14/templates/dpc-batch-template.yaml b/i14/templates/dpc-batch-template.yaml index f23c5e7..2bf5e40 100644 --- a/i14/templates/dpc-batch-template.yaml +++ b/i14/templates/dpc-batch-template.yaml @@ -72,13 +72,17 @@ spec: value: /tmp command: [bash] source: | - python -m papermill /tmp/notebook.ipynb /tmp/notebook-parametrized.ipynb \ + python -m papermill /tmp/notebook.ipynb \ + "{{`{{ inputs.parameters.outputFolder }}`}}/dpc-notebook-{{`{{ inputs.parameters.scanNumber }}`}}.ipynb" \ -p inpath "{{`{{ workflow.parameters.visitdir }}`}}/scan/i14-{{`{{ inputs.parameters.scanNumber }}`}}.nxs" \ -p process_configfile /tmp/config.yaml \ -p outpath "{{`{{ inputs.parameters.outputFolder }}`}}/i14-{{`{{ inputs.parameters.scanNumber }}`}}_dpc-phase.nxs" \ - -p auto_processing False - python -m jupyter nbconvert /tmp/notebook-parametrized.ipynb --to notebook --execute --allow-errors --output dpc-notebook-{{`{{ inputs.parameters.scanNumber }}`}} --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}" - python -m jupyter nbconvert "{{`{{ inputs.parameters.outputFolder }}`}}/dpc-notebook-{{`{{ inputs.parameters.scanNumber }}`}}.ipynb" --to html --no-input --output dpc-output-{{`{{ inputs.parameters.scanNumber }}`}} --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}" + -p auto_processing False \ + --prepare-only + python -m jupyter nbconvert "{{`{{ inputs.parameters.outputFolder }}`}}/dpc-notebook-{{`{{ inputs.parameters.scanNumber }}`}}.ipynb" \ + --to html --execute --allow-errors --no-input \ + --output dpc-output-{{`{{ inputs.parameters.scanNumber }}`}} \ + --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}" volumeMounts: - name: session mountPath: "{{`{{ workflow.parameters.visitdir }}`}}" diff --git a/i14/templates/mask-template.yaml b/i14/templates/mask-template.yaml index 962685a..e8dd1b3 100644 --- a/i14/templates/mask-template.yaml +++ b/i14/templates/mask-template.yaml @@ -76,15 +76,17 @@ spec: value: /tmp command: [bash] source: | - python -m papermill /tmp/notebook.ipynb /tmp/notebook-parametrized.ipynb \ + python -m papermill /tmp/notebook.ipynb "{{`{{ inputs.parameters.outpath }}`}}/mask-notebook.ipynb" \ -p inpath "{{`{{ inputs.parameters.inpath }}`}}" \ -p outpath "{{`{{ inputs.parameters.outpath }}`}}" \ -p padding "{{`{{ inputs.parameters.padding }}`}}" \ -p min_size "{{`{{ inputs.parameters.minSize }}`}}" \ -p erosion_radius "{{`{{ inputs.parameters.erosionRadius }}`}}" \ - -p dilation_radius "{{`{{ inputs.parameters.dilationRadius }}`}}" - python -m jupyter nbconvert /tmp/notebook-parametrized.ipynb --to notebook --execute --allow-errors --output mask-notebook --output-dir "{{`{{ inputs.parameters.outpath }}`}}" - python -m jupyter nbconvert "{{`{{ inputs.parameters.outpath }}`}}/mask-notebook.ipynb" --to html --output mask-output --output-dir "{{`{{ inputs.parameters.outpath }}`}}" + -p dilation_radius "{{`{{ inputs.parameters.dilationRadius }}`}}" \ + --prepare-only + python -m jupyter nbconvert "{{`{{ inputs.parameters.outpath }}`}}/mask-notebook.ipynb" \ + --to html --execute --allow-errors --output mask-output \ + --output-dir "{{`{{ inputs.parameters.outpath }}`}}" volumeMounts: - name: session mountPath: "{{`{{ workflow.parameters.visitdir }}`}}" diff --git a/i14/templates/phase-template.yaml b/i14/templates/phase-template.yaml index 46b0ad2..a2278cd 100644 --- a/i14/templates/phase-template.yaml +++ b/i14/templates/phase-template.yaml @@ -68,13 +68,16 @@ spec: value: /tmp command: [bash] source: | - python -m papermill /tmp/notebook.ipynb /tmp/notebook-parametrized.ipynb \ + python -m papermill /tmp/notebook.ipynb "{{`{{ inputs.parameters.outpath }}`}}/phase-notebook.ipynb" \ -p inpath "{{`{{ inputs.parameters.inpath }}`}}" \ -p maskpath "{{`{{ inputs.parameters.maskpath }}`}}" \ -p normalise "{{`{{ inputs.parameters.normalise }}`}}" \ - -p outpath "{{`{{ inputs.parameters.outpath }}`}}" - python -m jupyter nbconvert /tmp/notebook-parametrized.ipynb --to notebook --execute --allow-errors --output phase-notebook --output-dir "{{`{{ inputs.parameters.outpath }}`}}" - python -m jupyter nbconvert "{{`{{ inputs.parameters.outpath }}`}}/phase-notebook.ipynb" --to html --output phase-output --output-dir "{{`{{ inputs.parameters.outpath }}`}}" + -p outpath "{{`{{ inputs.parameters.outpath }}`}}" \ + --prepare-only + python -m jupyter nbconvert "{{`{{ inputs.parameters.outpath }}`}}/phase-notebook.ipynb" \ + --to html --execute --allow-errors \ + --output phase-output \ + --output-dir "{{`{{ inputs.parameters.outpath }}`}}" volumeMounts: - name: session mountPath: "{{`{{ workflow.parameters.visitdir }}`}}" diff --git a/i14/templates/xanes-auto-template.yaml b/i14/templates/xanes-auto-template.yaml index baa9eb2..f3dd3ec 100644 --- a/i14/templates/xanes-auto-template.yaml +++ b/i14/templates/xanes-auto-template.yaml @@ -128,7 +128,8 @@ spec: value: /opt/venv/lib64/python3.12/site-packages/hdf5plugin/plugins/ command: [bash] source: | - python -m papermill /tmp/notebook.ipynb /tmp/notebook-parametrized.ipynb \ + python -m papermill /tmp/notebook.ipynb \ + "{{`{{ inputs.parameters.outputFolder }}`}}/xanes-{{`{{ inputs.parameters.first }}`}}-{{`{{ inputs.parameters.last }}`}}/xanes-notebook.ipynb" \ -p first "{{`{{ inputs.parameters.first }}`}}" \ -p last "{{`{{ inputs.parameters.last }}`}}" \ -p exclude "{{`{{ inputs.parameters.exclude }}`}}" \ @@ -142,9 +143,11 @@ spec: -p sztol 0.9 \ -p ref_index None \ -p max_fractional_shift 0.2 \ - -p auto_processing False - python -m jupyter nbconvert /tmp/notebook-parametrized.ipynb --to notebook --execute --allow-errors --output xanes-notebook --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}/xanes-{{`{{ inputs.parameters.first }}`}}-{{`{{ inputs.parameters.last }}`}}" - python -m jupyter nbconvert "{{`{{ inputs.parameters.outputFolder }}`}}/xanes-{{`{{ inputs.parameters.first }}`}}-{{`{{ inputs.parameters.last }}`}}/xanes-notebook.ipynb" --to html --output xanes-output --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}/xanes-{{`{{ inputs.parameters.first }}`}}-{{`{{ inputs.parameters.last }}`}}" + -p auto_processing False \ + --prepare-only + python -m jupyter nbconvert "{{`{{ inputs.parameters.outputFolder }}`}}/xanes-{{`{{ inputs.parameters.first }}`}}-{{`{{ inputs.parameters.last }}`}}/xanes-notebook.ipynb" \ + --to html --execute --allow-errors --output xanes-output \ + --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}/xanes-{{`{{ inputs.parameters.first }}`}}-{{`{{ inputs.parameters.last }}`}}" volumeMounts: - name: session mountPath: "{{`{{ workflow.parameters.visitdir }}`}}" diff --git a/i14/templates/xanes-point-template.yaml b/i14/templates/xanes-point-template.yaml index 57dfd21..93ff099 100644 --- a/i14/templates/xanes-point-template.yaml +++ b/i14/templates/xanes-point-template.yaml @@ -72,14 +72,16 @@ spec: value: /tmp command: [bash] source: | - python -m papermill /tmp/notebook.ipynb /tmp/notebook-parametrized.ipynb \ + python -m papermill /tmp/notebook.ipynb "{{`{{ inputs.parameters.outputFolder }}`}}/xanes-point-notebook.ipynb" \ -p inpath "{{`{{ workflow.parameters.visitdir }}`}}/scan/i14-{{`{{ inputs.parameters.scanNumber }}`}}.nxs" \ -p outpath "{{`{{ inputs.parameters.outputFolder }}`}}/i14-{{`{{ inputs.parameters.scanNumber }}`}}xanes_point.txt" \ -p edge_element "{{`{{ inputs.parameters.edgeElement }}`}}" \ -p normalise "{{`{{ inputs.parameters.normalise }}`}}" \ - -p auto_processing False - python -m jupyter nbconvert /tmp/notebook-parametrized.ipynb --to notebook --execute --allow-errors --output xanes-point-notebook --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}" - python -m jupyter nbconvert "{{`{{ inputs.parameters.outputFolder }}`}}/xanes-point-notebook.ipynb" --to html --output xanes-point-output --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}" + -p auto_processing False \ + --prepare-only + python -m jupyter nbconvert "{{`{{ inputs.parameters.outputFolder }}`}}/xanes-point-notebook.ipynb" \ + --to html --execute --allow-errors --output xanes-point-output \ + --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}" volumeMounts: - name: session mountPath: "{{`{{ workflow.parameters.visitdir }}`}}" diff --git a/i14/templates/xanes-sparse-template.yaml b/i14/templates/xanes-sparse-template.yaml index e6975d0..f075485 100644 --- a/i14/templates/xanes-sparse-template.yaml +++ b/i14/templates/xanes-sparse-template.yaml @@ -95,7 +95,8 @@ spec: value: /opt/venv/lib64/python3.12/site-packages/hdf5plugin/plugins/ command: [bash] source: | - python -m papermill /tmp/notebook.ipynb /tmp/notebook-parametrized.ipynb \ + python -m papermill /tmp/notebook.ipynb \ + "{{`{{ inputs.parameters.outputFolder }}`}}/xanes_sparse_{{`{{ inputs.parameters.first }}`}}_{{`{{ inputs.parameters.last }}`}}/xanes-sparse-notebook.ipynb" \ -p first "{{`{{ inputs.parameters.first }}`}}" \ -p last "{{`{{ inputs.parameters.last }}`}}" \ -p exclude "{{`{{ inputs.parameters.exclude }}`}}" \ @@ -108,9 +109,11 @@ spec: -p num_short_iteration 75 \ -p num_final_iteration 2000 \ -p normalised "{{`{{ inputs.parameters.normalise }}`}}" \ - -p auto_processing False - python -m jupyter nbconvert /tmp/notebook-parametrized.ipynb --to notebook --execute --allow-errors --output xanes-sparse-notebook --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}/xanes_sparse_{{`{{ inputs.parameters.first }}`}}_{{`{{ inputs.parameters.last }}`}}" - python -m jupyter nbconvert "{{`{{ inputs.parameters.outputFolder }}`}}/xanes_sparse_{{`{{ inputs.parameters.first }}`}}_{{`{{ inputs.parameters.last }}`}}/xanes-sparse-notebook.ipynb" --to html --output xanes-sparse-output --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}/xanes_sparse_{{`{{ inputs.parameters.first }}`}}_{{`{{ inputs.parameters.last }}`}}" + -p auto_processing False \ + --prepare-only + python -m jupyter nbconvert "{{`{{ inputs.parameters.outputFolder }}`}}/xanes_sparse_{{`{{ inputs.parameters.first }}`}}_{{`{{ inputs.parameters.last }}`}}/xanes-sparse-notebook.ipynb" \ + --to html --execute --allow-errors --output xanes-sparse-output \ + --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}/xanes_sparse_{{`{{ inputs.parameters.first }}`}}_{{`{{ inputs.parameters.last }}`}}" volumeMounts: - name: session mountPath: "{{`{{ workflow.parameters.visitdir }}`}}" diff --git a/i14/templates/xrd1d-batch-template.yaml b/i14/templates/xrd1d-batch-template.yaml index a83d2f1..27197ce 100644 --- a/i14/templates/xrd1d-batch-template.yaml +++ b/i14/templates/xrd1d-batch-template.yaml @@ -100,7 +100,8 @@ spec: value: /tmp command: [bash] source: | - python -m papermill /tmp/notebook.ipynb /tmp/notebook-parametrized.ipynb \ + python -m papermill /tmp/notebook.ipynb \ + "{{`{{ inputs.parameters.outputFolder }}`}}/xrd1d-notebook-{{`{{ inputs.parameters.scanNumber }}`}}.ipynb" \ -p inpath "{{`{{ workflow.parameters.visitdir }}`}}/scan/i14-{{`{{ inputs.parameters.scanNumber }}`}}.nxs" \ -p process_configfile "{{`{{ inputs.parameters.xrdProcessConfigUpload }}`}}" \ -p outpath "{{`{{ inputs.parameters.outputFolder }}`}}/i14-{{`{{ inputs.parameters.scanNumber }}`}}-xrd1d.nxs" \ @@ -108,9 +109,11 @@ spec: -p mask_path "{{`{{ inputs.parameters.maskPath }}`}}" \ -p flat_path "{{`{{ inputs.parameters.flatPath }}`}}" \ -p background_type "{{`{{ inputs.parameters.backgroundType }}`}}" \ - -p polynomial_order "{{`{{ inputs.parameters.polynomialOrder }}`}}" - python -m jupyter nbconvert /tmp/notebook-parametrized.ipynb --to notebook --execute --allow-errors --output xrd1d-notebook-{{`{{ inputs.parameters.scanNumber }}`}} --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}" - python -m jupyter nbconvert "{{`{{ inputs.parameters.outputFolder }}`}}/xrd1d-notebook-{{`{{ inputs.parameters.scanNumber }}`}}.ipynb" --to html --no-input --output xrd1d-output-{{`{{ inputs.parameters.scanNumber }}`}} --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}" + -p polynomial_order "{{`{{ inputs.parameters.polynomialOrder }}`}}" \ + --prepare-only + python -m jupyter nbconvert "{{`{{ inputs.parameters.outputFolder }}`}}/xrd1d-notebook-{{`{{ inputs.parameters.scanNumber }}`}}.ipynb" \ + --to html --execute --allow-errors --no-input --output xrd1d-output-{{`{{ inputs.parameters.scanNumber }}`}} \ + --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}" volumeMounts: - name: session mountPath: "{{`{{ workflow.parameters.visitdir }}`}}" diff --git a/i14/templates/xrd2d-batch-template.yaml b/i14/templates/xrd2d-batch-template.yaml index 69e74cd..8a95f44 100644 --- a/i14/templates/xrd2d-batch-template.yaml +++ b/i14/templates/xrd2d-batch-template.yaml @@ -89,15 +89,19 @@ spec: value: /tmp command: [bash] source: | - python -m papermill /tmp/notebook.ipynb /tmp/notebook-parametrized.ipynb \ + python -m papermill /tmp/notebook.ipynb \ + "{{`{{ inputs.parameters.outputFolder }}`}}/xrd2d-notebook-{{`{{ inputs.parameters.scanNumber }}`}}.ipynb" \ -p inpath "{{`{{ workflow.parameters.visitdir }}`}}/scan/i14-{{`{{ inputs.parameters.scanNumber }}`}}.nxs" \ -p process_configfile "{{`{{ inputs.parameters.xrdProcessConfigUpload }}`}}" \ -p outpath "{{`{{ inputs.parameters.outputFolder }}`}}/i14-{{`{{ inputs.parameters.scanNumber }}`}}-xrd2d.nxs" \ -p calibration_path "{{`{{ inputs.parameters.calibrationPath }}`}}" \ -p mask_path "{{`{{ inputs.parameters.maskPath }}`}}" \ - -p flat_path "{{`{{ inputs.parameters.flatPath }}`}}" - python -m jupyter nbconvert /tmp/notebook-parametrized.ipynb --to notebook --execute --allow-errors --output xrd2d-notebook-{{`{{ inputs.parameters.scanNumber }}`}} --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}" - python -m jupyter nbconvert "{{`{{ inputs.parameters.outputFolder }}`}}/xrd2d-notebook-{{`{{ inputs.parameters.scanNumber }}`}}.ipynb" --to html --no-input --output xrd2d-output-{{`{{ inputs.parameters.scanNumber }}`}} --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}" + -p flat_path "{{`{{ inputs.parameters.flatPath }}`}}" \ + --prepare-only + python -m jupyter nbconvert "{{`{{ inputs.parameters.outputFolder }}`}}/xrd2d-notebook-{{`{{ inputs.parameters.scanNumber }}`}}.ipynb" \ + --to html --execute --allow-errors --no-input \ + --output xrd2d-output-{{`{{ inputs.parameters.scanNumber }}`}} \ + --output-dir "{{`{{ inputs.parameters.outputFolder }}`}}" volumeMounts: - name: session mountPath: "{{`{{ workflow.parameters.visitdir }}`}}"