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SOF-7756-3: TS for wode (dist) #382

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32 changes: 28 additions & 4 deletions dist/js/example/job.json
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Expand Up @@ -81,6 +81,7 @@
"shortName": "qe",
"summary": "Quantum Espresso",
"version": "5.1.1",
"build": "GNU",
"hasAdvancedComputeOptions": true
},
"model": {
Expand All @@ -105,6 +106,7 @@
"shortName": "qe",
"summary": "Quantum Espresso",
"version": "5.1.1",
"build": "GNU",
"hasAdvancedComputeOptions": true
},
"compute": null,
Expand Down Expand Up @@ -135,14 +137,32 @@
"templateId": "dJ7HYz5pQ4AuN5qc9"
}
],
"name": "pw_scf"
"name": "pw_scf",
"postProcessors": [],
"preProcessors": [],
"monitors": [],
"results": []
},
"flowchartId": "execution",
"head": true,
"input": [
{
"content": "K_POINTS automatic\n2 2 2 0 0 0",
"name": "pw_scf.in"
"template": {
"applicationName": "espresso",
"applicationVersions": [
"6.0"
],
"content": "K_POINTS automatic\n{{nkx}} {{nky}} {{nkz}} 0 0 0",
"contextProviders": [
{
"name": "KGridManagerMixin"
}
],
"executableName": "pw.x",
"name": "kpoints_grid"
},
"rendered": "K_POINTS automatic\n2 2 2 0 0 0",
"isManuallyChanged": false
}
],
"monitors": [
Expand Down Expand Up @@ -176,7 +196,11 @@
"_id": "LCthJ6E2QabYCZqf4",
"flowchartId": "05c362dc27ff1bb98d16fd60",
"type": "subworkflow",
"name": "subworkflow unit"
"name": "subworkflow unit",
"preProcessors": [],
"postProcessors": [],
"monitors": [],
"results": []
}
]
}
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1 change: 1 addition & 0 deletions dist/js/example/software/application.json
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Expand Up @@ -3,5 +3,6 @@
"shortName": "qe",
"summary": "Quantum Espresso",
"version": "5.1.1",
"build": "GNU",
"hasAdvancedComputeOptions": true
}
6 changes: 5 additions & 1 deletion dist/js/example/software/flavor.json
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Expand Up @@ -5,5 +5,9 @@
"templateId": "dJ7HYz5pQ4AuN5qc9"
}
],
"name": "pw_scf"
"name": "pw_scf",
"postProcessors": [],
"preProcessors": [],
"monitors": [],
"results": []
}
1 change: 0 additions & 1 deletion dist/js/example/software/template.json
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Expand Up @@ -4,7 +4,6 @@
"6.0"
],
"content": "K_POINTS automatic\n{{nkx}} {{nky}} {{nkz}} 0 0 0",
"rendered": "K_POINTS automatic\n10 10 10 0 0 0",
"contextProviders": [
{
"name": "KGridManagerMixin"
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3 changes: 2 additions & 1 deletion dist/js/example/software_directory/modeling/espresso.json
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Expand Up @@ -2,5 +2,6 @@
"name": "espresso",
"shortName": "qe",
"summary": "Quantum Espresso",
"version": "7.2"
"version": "7.2",
"build": "GNU"
}
4 changes: 3 additions & 1 deletion dist/js/example/software_directory/modeling/nwchem.json
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@@ -1,6 +1,8 @@
{
"name": "NWChem",
"summary": "NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations",
"shortName": "nwchem",
"version": "6.6",
"exec": "nwchem"
"exec": "nwchem",
"build": "GNU"
}
38 changes: 23 additions & 15 deletions dist/js/example/software_directory/modeling/unit/execution.json
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Expand Up @@ -3,28 +3,36 @@
"name": "espresso",
"shortName": "qe",
"summary": "Quantum Espresso",
"version": "7.2"
"version": "7.2",
"build": "GNU"
},
"flowchartId": "modeling",
"head": true,
"input": [
{
"applicationName": "espresso",
"applicationVersions": [
"6.0"
],
"content": "K_POINTS automatic\n{{nkx}} {{nky}} {{nkz}} 0 0 0",
"rendered": "K_POINTS automatic\n10 10 10 0 0 0",
"contextProviders": [
{
"name": "KGridManagerMixin"
}
],
"executableName": "pw.x",
"name": "kpoints_grid"
"template": {
"applicationName": "espresso",
"applicationVersions": [
"6.0"
],
"content": "K_POINTS automatic\n{{nkx}} {{nky}} {{nkz}} 0 0 0",
"contextProviders": [
{
"name": "KGridManagerMixin"
}
],
"executableName": "pw.x",
"name": "kpoints_grid"
},
"rendered": "K_POINTS automatic\n2 2 2 0 0 0",
"isManuallyChanged": false
}
],
"name": "modeling",
"status": "idle",
"type": "execution"
"type": "execution",
"preProcessors": [],
"postProcessors": [],
"monitors": [],
"results": []
}
3 changes: 2 additions & 1 deletion dist/js/example/software_directory/modeling/vasp.json
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Expand Up @@ -2,5 +2,6 @@
"name": "vasp",
"shortName": "vasp",
"summary": "vienna ab-initio simulation package",
"version": "5.3.5"
"version": "5.3.5",
"build": "GNU"
}
3 changes: 2 additions & 1 deletion dist/js/example/software_directory/scripting/jupyter_lab.json
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Expand Up @@ -4,5 +4,6 @@
"name": "jupyterLab",
"shortName": "jl",
"summary": "Jupyter Lab",
"version": "0.33.12"
"version": "0.33.12",
"build": "GNU"
}
3 changes: 2 additions & 1 deletion dist/js/example/software_directory/scripting/python.json
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Expand Up @@ -4,5 +4,6 @@
"name": "python",
"shortName": "py",
"summary": "Python Script",
"version": "2.7.5"
"version": "2.7.5",
"build": "GNU"
}
3 changes: 2 additions & 1 deletion dist/js/example/software_directory/scripting/shell.json
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Expand Up @@ -4,5 +4,6 @@
"name": "shell",
"shortName": "sh",
"summary": "Shell Script",
"version": "4.2.46"
"version": "4.2.46",
"build": "GNU"
}
38 changes: 23 additions & 15 deletions dist/js/example/software_directory/scripting/unit/execution.json
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Expand Up @@ -5,29 +5,37 @@
"name": "python",
"shortName": "py",
"summary": "Python Script",
"version": "2.7.5"
"version": "2.7.5",
"build": "GNU"
},
"compute": null,
"flowchartId": "scripting",
"head": true,
"input": [
{
"applicationName": "espresso",
"applicationVersions": [
"6.0"
],
"content": "K_POINTS automatic\n{{nkx}} {{nky}} {{nkz}} 0 0 0",
"rendered": "K_POINTS automatic\n10 10 10 0 0 0",
"contextProviders": [
{
"name": "KGridManagerMixin"
}
],
"executableName": "pw.x",
"name": "kpoints_grid"
"template": {
"applicationName": "espresso",
"applicationVersions": [
"6.0"
],
"content": "K_POINTS automatic\n{{nkx}} {{nky}} {{nkz}} 0 0 0",
"contextProviders": [
{
"name": "KGridManagerMixin"
}
],
"executableName": "pw.x",
"name": "kpoints_grid"
},
"rendered": "K_POINTS automatic\n2 2 2 0 0 0",
"isManuallyChanged": false
}
],
"name": "scripting",
"status": "idle",
"type": "execution"
"type": "execution",
"preProcessors": [],
"postProcessors": [],
"monitors": [],
"results": []
}
14 changes: 14 additions & 0 deletions dist/js/example/system/runtime_items.json
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@@ -0,0 +1,14 @@
{
"preProcessors": [],
"postProcessors": [],
"monitors": [
{
"name": "standard_output"
}
],
"results": [
{
"name": "atomic_forces"
}
]
}
32 changes: 28 additions & 4 deletions dist/js/example/workflow.json
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Expand Up @@ -28,6 +28,7 @@
"shortName": "qe",
"summary": "Quantum Espresso",
"version": "5.1.1",
"build": "GNU",
"hasAdvancedComputeOptions": true
},
"model": {
Expand All @@ -52,6 +53,7 @@
"shortName": "qe",
"summary": "Quantum Espresso",
"version": "5.1.1",
"build": "GNU",
"hasAdvancedComputeOptions": true
},
"compute": null,
Expand Down Expand Up @@ -82,14 +84,32 @@
"templateId": "dJ7HYz5pQ4AuN5qc9"
}
],
"name": "pw_scf"
"name": "pw_scf",
"postProcessors": [],
"preProcessors": [],
"monitors": [],
"results": []
},
"flowchartId": "execution",
"head": true,
"input": [
{
"content": "K_POINTS automatic\n2 2 2 0 0 0",
"name": "pw_scf.in"
"template": {
"applicationName": "espresso",
"applicationVersions": [
"6.0"
],
"content": "K_POINTS automatic\n{{nkx}} {{nky}} {{nkz}} 0 0 0",
"contextProviders": [
{
"name": "KGridManagerMixin"
}
],
"executableName": "pw.x",
"name": "kpoints_grid"
},
"rendered": "K_POINTS automatic\n2 2 2 0 0 0",
"isManuallyChanged": false
}
],
"monitors": [
Expand Down Expand Up @@ -123,7 +143,11 @@
"_id": "LCthJ6E2QabYCZqf4",
"flowchartId": "05c362dc27ff1bb98d16fd60",
"type": "subworkflow",
"name": "subworkflow unit"
"name": "subworkflow unit",
"preProcessors": [],
"postProcessors": [],
"monitors": [],
"results": []
}
]
}
26 changes: 23 additions & 3 deletions dist/js/example/workflow/subworkflow.json
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Expand Up @@ -5,6 +5,7 @@
"shortName": "qe",
"summary": "Quantum Espresso",
"version": "5.1.1",
"build": "GNU",
"hasAdvancedComputeOptions": true
},
"model": {
Expand All @@ -29,6 +30,7 @@
"shortName": "qe",
"summary": "Quantum Espresso",
"version": "5.1.1",
"build": "GNU",
"hasAdvancedComputeOptions": true
},
"compute": null,
Expand Down Expand Up @@ -59,14 +61,32 @@
"templateId": "dJ7HYz5pQ4AuN5qc9"
}
],
"name": "pw_scf"
"name": "pw_scf",
"postProcessors": [],
"preProcessors": [],
"monitors": [],
"results": []
},
"flowchartId": "execution",
"head": true,
"input": [
{
"content": "K_POINTS automatic\n2 2 2 0 0 0",
"name": "pw_scf.in"
"template": {
"applicationName": "espresso",
"applicationVersions": [
"6.0"
],
"content": "K_POINTS automatic\n{{nkx}} {{nky}} {{nkz}} 0 0 0",
"contextProviders": [
{
"name": "KGridManagerMixin"
}
],
"executableName": "pw.x",
"name": "kpoints_grid"
},
"rendered": "K_POINTS automatic\n2 2 2 0 0 0",
"isManuallyChanged": false
}
],
"monitors": [
Expand Down
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