Schema changes to add a layer for template variables (#5)

aiidateam · Oct 12, 2023 · 462859f · 462859f
1 parent 0cc8749
commit 462859f
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Showing 14 changed files with 215 additions and 179 deletions.
diff --git a/daint.cscs.ch/gpu/codes/QE-7.2-exe-template.yml b/daint.cscs.ch/gpu/codes/QE-7.2-exe-template.yml
@@ -8,11 +8,12 @@ prepend_text: |
     module load QuantumESPRESSO
 append_text: ' '
 metadata:
-    code_binary_name:
-        type: list
-        key_display: Code name
-        options:
-            - pw
-            - ph
-            - dos
-            - projwfc
+    template_variables:
+        code_binary_name:
+            type: list
+            key_display: Code name
+            options:
+                - pw
+                - ph
+                - dos
+                - projwfc
diff --git a/daint.cscs.ch/gpu/computer-configure.yml b/daint.cscs.ch/gpu/computer-configure.yml
@@ -8,7 +8,8 @@ metadata:
             Setup up the SSH connection.
         </p>
     ssh_auth: 2FA
-    username:
-        description: The username to use for the SSH connection
-        type: text
-        key_display: SSH username
+    template_variables:
+        username:
+            description: The username to use for the SSH connection
+            type: text
+            key_display: SSH username
diff --git a/daint.cscs.ch/gpu/computer-setup.yml b/daint.cscs.ch/gpu/computer-setup.yml
@@ -28,33 +28,34 @@ metadata:
             The CSCS now require MFA to login, please check the <a href="https://user.cscs.ch/access/auth/mfa/" target="_blank">MFA CSCS documentation</a> for details on how to set up SSH connection. <br>
             If you are using the AiiDAlab, please use the <a href="https://github.com/aiidalab/aiidalab-mfa-cscs" target="_blank">MFA CSCS plugin</a> to set SSH connection.
         </p>
-    label:
-        default: daint-gpu
-        description: A short name to identify the computer
-        type: text
-        key_display: Computer Label
-    slurm_partition:
-        default: normal
-        description: The slurm partition to submit jobs to
-        type: list
-        options:
-            - normal
-            - debug
-            - large
-            - long
-            - low
-            - prepost
-        key_display: Slurm partition
-    slurm_account:
-        description: The slurm account to submit jobs to
-        type: text
-        key_display: Slurm account
-    multithreading:
-        default: nomultithread
-        description: The multithreading hint
-        type: list
-        options:
-            - nomultithread
-            - multithread
-        key_display: Multithreading hint
+    template_variables:
+        label:
+            default: daint-gpu
+            description: A short name to identify the computer
+            type: text
+            key_display: Computer Label
+        slurm_partition:
+            default: normal
+            description: The slurm partition to submit jobs to
+            type: list
+            options:
+                - normal
+                - debug
+                - large
+                - long
+                - low
+                - prepost
+            key_display: Slurm partition
+        slurm_account:
+            description: The slurm account to submit jobs to
+            type: text
+            key_display: Slurm account
+        multithreading:
+            default: nomultithread
+            description: The multithreading hint
+            type: list
+            options:
+                - nomultithread
+                - multithread
+            key_display: Multithreading hint
 
diff --git a/daint.cscs.ch/mc/codes/QE-7.0-exe-template.yml b/daint.cscs.ch/mc/codes/QE-7.0-exe-template.yml
@@ -8,11 +8,12 @@ prepend_text: |
     module load QuantumESPRESSO
 append_text: ''
 metadata:
-    code_binary_name:
-        key_display: Code name
-        type: list
-        options:
-            - pw
-            - ph
-            - dos
-            - projwfc
+    templte_variables:
+        code_binary_name:
+            key_display: Code name
+            type: list
+            options:
+                - pw
+                - ph
+                - dos
+                - projwfc
diff --git a/daint.cscs.ch/mc/codes/QE-7.2-exe-template.yml b/daint.cscs.ch/mc/codes/QE-7.2-exe-template.yml
@@ -8,11 +8,12 @@ prepend_text: |
     module load QuantumESPRESSO
 append_text: ''
 metadata:
-    code_binary_name:
-        key_display: Code name
-        type: list
-        options:
-            - pw
-            - ph
-            - dos
-            - projwfc
+    templte_variables:
+        code_binary_name:
+            key_display: Code name
+            type: list
+            options:
+                - pw
+                - ph
+                - dos
+                - projwfc
diff --git a/daint.cscs.ch/mc/computer-configure.yml b/daint.cscs.ch/mc/computer-configure.yml
@@ -8,7 +8,8 @@ metadata:
             Setup up the SSH connection.
         </p>
     ssh_auth: 2FA
-    username:
-        description: The username to use for the SSH connection
-        type: text
-        key_display: SSH username
+    template_variables:
+        username:
+            description: The username to use for the SSH connection
+            type: text
+            key_display: SSH username
diff --git a/daint.cscs.ch/mc/computer-setup.yml b/daint.cscs.ch/mc/computer-setup.yml
@@ -25,32 +25,33 @@ metadata:
             The CSCS now require MFA to login, please check the <a href="https://user.cscs.ch/access/auth/mfa/" target="_blank">MFA CSCS documentation</a> for details on how to set up SSH connection. <br>
             If you are using the AiiDAlab, please use the <a href="https://github.com/aiidalab/aiidalab-mfa-cscs" target="_blank">MFA CSCS plugin</a> to set SSH connection.
         </p>
-    label:
-        default: daint-mc
-        description: A short name to identify the computer
-        type: text
-        key_display: Computer Label
-    slurm_partition:
-        default: normal
-        description: The slurm partition to submit jobs to
-        type: list
-        options:
-            - normal
-            - debug
-            - large
-            - long
-            - low
-            - prepost
-        key_display: Slurm partition
-    slurm_account:
-        description: The slurm account to submit jobs to
-        type: text
-        key_display: Slurm account
-    multithreading:
-        default: nomultithread
-        description: The multithreading hint
-        type: list
-        options:
-            - nomultithread
-            - multithread
-        key_display: Multithreading hint
+    template_variables:
+        label:
+            default: daint-mc
+            description: A short name to identify the computer
+            type: text
+            key_display: Computer Label
+        slurm_partition:
+            default: normal
+            description: The slurm partition to submit jobs to
+            type: list
+            options:
+                - normal
+                - debug
+                - large
+                - long
+                - low
+                - prepost
+            key_display: Slurm partition
+        slurm_account:
+            description: The slurm account to submit jobs to
+            type: text
+            key_display: Slurm account
+        multithreading:
+            default: nomultithread
+            description: The multithreading hint
+            type: list
+            options:
+                - nomultithread
+                - multithread
+            key_display: Multithreading hint
diff --git a/gh_page/resource.schema.json b/gh_page/resource.schema.json
@@ -14,17 +14,8 @@
             "$ref": "#/definitions/resource"
         }
     },
-    "metadata": {
+    "template_variables": {
         "type": "object",
-        "properties": {
-            "tooltip": {
-                "type": "string"
-            },
-            "ssh_auth": {
-                "type": "string",
-                "enum": ["password", "2FA"]
-            }
-        },
         "additionalProperties": {
             "type": "object",
             "properties": {
@@ -120,7 +111,15 @@
                 "type": "string"
             },
             "metadata": {
-                "$ref": "#/definitions/metadata"
+                "type": "object",
+                "properties": {
+                    "tooltip": {
+                        "type": "string"
+                    },
+                    "template_variables": {
+                        "$ref": "#/definitions/template_variables"
+                    }
+                }
             }
         },
         "required": ["label", "hostname", "description", "transport", "scheduler", "work_dir", "shebang", "mpirun_command", "mpiprocs_per_machine", "prepend_text"],
@@ -140,7 +139,19 @@
                 "type": "string"
             },
             "metadata": {
-                "$ref": "#/definitions/metadata"
+                "type": "object",
+                "properties": {
+                    "tooltip": {
+                        "type": "string"
+                    },
+                    "ssh_auth": {
+                        "type": "string",
+                        "enum": ["password", "key", "2FA"]
+                    },
+                    "template_variables": {
+                        "$ref": "#/definitions/template_variables"
+                    }
+                }
             }
         },
         "required": ["safe_interval", "username"],
@@ -169,7 +180,19 @@
                 "type": "string"
             },
             "metadata": {
-                "$ref": "#/definitions/metadata"
+                "type": "object",
+                "properties": {
+                    "tooltip": {
+                        "type": "string"
+                    },
+                    "ssh_auth": {
+                        "type": "string",
+                        "enum": ["password", "key", "2FA"]
+                    },
+                    "template_variables": {
+                        "$ref": "#/definitions/template_variables"
+                    }
+                }
             }
         },
         "required": ["label", "description", "default_calc_job_plugin", "filepath_executable", "prepend_text", "append_text"],

diff --git a/merlin.psi.ch/cpu/codes/QE-7.0-exe-template.yml b/merlin.psi.ch/cpu/codes/QE-7.0-exe-template.yml
@@ -9,11 +9,12 @@ prepend_text: |
     module load qe/7.0
 append_text: ''
 metadata:
-    code_binary_name:
-        key_display: Code name
-        type: list
-        options:
-            - pw
-            - ph
-            - dos
-            - projwfc
+    template_variables:
+        code_binary_name:
+            key_display: Code name
+            type: list
+            options:
+                - pw
+                - ph
+                - dos
+                - projwfc
diff --git a/merlin.psi.ch/cpu/computer-configure.yml b/merlin.psi.ch/cpu/computer-configure.yml
@@ -7,7 +7,8 @@ metadata:
             Setup up the SSH connection.
         </p>
     ssh_auth: password
-    username:
-        description: The username to use for the SSH connection
-        type: text
-        key_display: SSH username
+    template_variables:
+        username:
+            description: The username to use for the SSH connection
+            type: text
+            key_display: SSH username
diff --git a/merlin.psi.ch/cpu/computer-setup.yml b/merlin.psi.ch/cpu/computer-setup.yml
@@ -22,25 +22,26 @@ metadata:
         <p>
             <a href="https://lsm-hpce.gitpages.psi.ch/merlin6/" target="_blank">Merlin</a> HPC at PSI.
         </p>
-    label:
-        default: merlin-cpu
-        description: A short name to identify the computer
-        type: text
-        key_display: Computer Label
-    slurm_partition:
-        default: general
-        description: The slurm partition to submit jobs to
-        type: list
-        options:
-            - general
-            - daily
-            - hourly
-        key_display: Slurm partition
-    multithreading:
-        default: nomultithread
-        description: The multithreading hint
-        type: list
-        options:
-            - nomultithread
-            - multithread
-        key_display: Multithreading hint
+    template_variables:
+        label:
+            default: merlin-cpu
+            description: A short name to identify the computer
+            type: text
+            key_display: Computer Label
+        slurm_partition:
+            default: general
+            description: The slurm partition to submit jobs to
+            type: list
+            options:
+                - general
+                - daily
+                - hourly
+            key_display: Slurm partition
+        multithreading:
+            default: nomultithread
+            description: The multithreading hint
+            type: list
+            options:
+                - nomultithread
+                - multithread
+            key_display: Multithreading hint
diff --git a/merlin.psi.ch/gpu/codes/QE-7.0-exe-template.yml b/merlin.psi.ch/gpu/codes/QE-7.0-exe-template.yml
@@ -9,11 +9,12 @@ prepend_text: |
     module load qe/7.0
 append_text: ''
 metadata:
-    code_binary_name:
-        key_display: Code name
-        type: list
-        options:
-            - pw
-            - ph
-            - dos
-            - projwfc
+    template_variables:
+        code_binary_name:
+            key_display: Code name
+            type: list
+            options:
+                - pw
+                - ph
+                - dos
+                - projwfc