template for QE version and correct remote path

aiidateam · Nov 17, 2023 · a6b1dc5 · a6b1dc5
1 parent 7a1e6fe
commit a6b1dc5
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Showing 3 changed files with 19 additions and 23 deletions.
diff --git a/...cscs.ch/gpu/codes/QuantumESPRESSO-7.2.yml → daint.cscs.ch/gpu/codes/QuantumESPRESSO.yml b/...cscs.ch/gpu/codes/QuantumESPRESSO-7.2.yml → daint.cscs.ch/gpu/codes/QuantumESPRESSO.yml
@@ -1,8 +1,8 @@
 ---
-label: '{{ code_binary_name }}-7.2'
+label: '{{ code_binary_name }}-{{ version }}}}'
 description: The code {{ code_binary_name }} of Quantum ESPRESSO compiled for gpu nodes on daint
 default_calc_job_plugin: quantumespresso.{{ code_binary_name }}
-filepath_executable: /apps/daint/UES/jenkins/7.0.UP03/21.09/daint-gpu/software/QuantumESPRESSO/7.2-CrayNvidia-21.09/bin/{{ code_binary_name }}.x
+filepath_executable: /apps/daint/UES/jenkins/7.0.UP03/21.09/daint-gpu/software/QuantumESPRESSO/{{ version }}-CrayNvidia-21.09/bin/{{ code_binary_name }}.x
 prepend_text: |
     module load daint-gpu
     module load QuantumESPRESSO
@@ -17,3 +17,11 @@ metadata:
                 - ph
                 - dos
                 - projwfc
+        version:
+            type: list
+            key_display: QE version
+            options:
+                - "7.0"
+                - "7.1"
+                - "7.2"
+            default: "7.2"
diff --git a/daint.cscs.ch/mc/codes/QuantumESPRESSO-7.2.yml b/daint.cscs.ch/mc/codes/QuantumESPRESSO-7.2.yml
diff --git a/....cscs.ch/mc/codes/QuantumESPRESSO-7.0.yml → daint.cscs.ch/mc/codes/QuantumESPRESSO.yml b/....cscs.ch/mc/codes/QuantumESPRESSO-7.0.yml → daint.cscs.ch/mc/codes/QuantumESPRESSO.yml
@@ -1,8 +1,8 @@
 ---
-label: '{{ code_binary_name }}-7.0'
+label: '{{ code_binary_name }}-{{ version }}'
 description: The code {{ code_binary_name }} of Quantum ESPRESSO compiled for daint-mc
 default_calc_job_plugin: quantumespresso.{{ code_binary_name }}
-filepath_executable: /apps/dom/UES/jenkins/7.0.UP03/21.09/dom-mc/software/QuantumESPRESSO/7.0-CrayIntel-21.09/bin/{{ code_binary_name }}.x
+filepath_executable: /apps/dom/UES/jenkins/7.0.UP03/21.09/dom-mc/software/QuantumESPRESSO/{{ version }}-CrayIntel-21.09/bin/{{ code_binary_name }}.x
 prepend_text: |
     module load daint-mc
     module load QuantumESPRESSO
@@ -17,3 +17,10 @@ metadata:
                 - ph
                 - dos
                 - projwfc
+        version:
+            type: list
+            key_display: QE version
+            options:
+                - "7.0"
+                - "7.1"
+            default: "7.1"