chore/SOF-6430

.yamllint.yml

@@ -9,7 +9,7 @@ rules:
     level: warning
     max-end: 1
   quoted-strings:
-    quote-type: single
+    quote-type: double
     required: false
   indentation:
     spaces: 2

applications/application_data.yml

@@ -1,7 +1,7 @@
-espresso: !include 'applications/espresso.yml'
-exabyteml: !include 'applications/exabyteml.yml'
-jupyterLab: !include 'applications/jupyterLab.yml'
-nwchem: !include 'applications/nwchem.yml'
-python: !include 'applications/python.yml'
-shell: !include 'applications/shell.yml'
-vasp: !include 'applications/vasp.yml'
+espresso: !include "applications/espresso.yml"
+exabyteml: !include "applications/exabyteml.yml"
+jupyterLab: !include "applications/jupyterLab.yml"
+nwchem: !include "applications/nwchem.yml"
+python: !include "applications/python.yml"
+shell: !include "applications/shell.yml"
+vasp: !include "applications/vasp.yml"

applications/espresso.yml

@@ -1,97 +1,97 @@
 name: espresso
 shortName: qe
 summary: Quantum Espresso
-defaultVersion: '5.4.0'
+defaultVersion: "5.4.0"
 versions:
   #### version 5.2.1 ####
-  - version: '5.2.1'
+  - version: "5.2.1"
     isDefault: true
     hasAdvancedComputeOptions: true
-  - version: '5.2.1'
+  - version: "5.2.1"
     isDefault: false
     build: GNU
     hasAdvancedComputeOptions: true
-  - version: '5.2.1'
+  - version: "5.2.1"
     isDefault: false
     build: Intel
     hasAdvancedComputeOptions: true
   #### version 5.4.0 ####
-  - version: '5.4.0'
+  - version: "5.4.0"
     isDefault: true
     hasAdvancedComputeOptions: true
-  - version: '5.4.0'
+  - version: "5.4.0"
     isDefault: false
     build: GNU
     hasAdvancedComputeOptions: true
-  - version: '5.4.0'
+  - version: "5.4.0"
     isDefault: false
     build: Intel
     hasAdvancedComputeOptions: true
   #### version 6.0.0 ####
-  - version: '6.0.0'
+  - version: "6.0.0"
     isDefault: true
     hasAdvancedComputeOptions: true
-  - version: '6.0.0'
+  - version: "6.0.0"
     isDefault: false
     build: GNU
     hasAdvancedComputeOptions: true
-  - version: '6.0.0'
+  - version: "6.0.0"
     isDefault: false
     build: Intel
     hasAdvancedComputeOptions: true
   #### version 6.3 ####
-  - version: '6.3'
+  - version: "6.3"
     isDefault: true
     hasAdvancedComputeOptions: true
-  - version: '6.3'
+  - version: "6.3"
     isDefault: false
     build: GNU
     hasAdvancedComputeOptions: true
-  - version: '6.3'
+  - version: "6.3"
     isDefault: false
     build: Intel
     hasAdvancedComputeOptions: true
   #### version 6.4.1 ####
-  - version: '6.4.1'
+  - version: "6.4.1"
     isDefault: true
     hasAdvancedComputeOptions: true
   #### version 6.5.0 ####
-  - version: '6.5.0'
+  - version: "6.5.0"
     isDefault: true
     hasAdvancedComputeOptions: true
   #### version 6.6.0 ####
-  - version: '6.6.0'
+  - version: "6.6.0"
     isDefault: true
     hasAdvancedComputeOptions: true
   #### version 6.7.0 ####
-  - version: '6.7.0'
+  - version: "6.7.0"
     isDefault: true
     hasAdvancedComputeOptions: true
   #### version 6.8.0 ####
-  - version: '6.8.0'
+  - version: "6.8.0"
     isDefault: true
     hasAdvancedComputeOptions: true
   #### version 7.0 ####
-  - version: '7.0'
+  - version: "7.0"
     isDefault: true
     hasAdvancedComputeOptions: true
-  - version: '7.0'
+  - version: "7.0"
     isDefault: false
     build: GNU
     hasAdvancedComputeOptions: true
-  - version: '7.0'
+  - version: "7.0"
     isDefault: false
     build: Intel
     hasAdvancedComputeOptions: true
   #### version 7.2 ####
-  - version: '7.2'
+  - version: "7.2"
     isDefault: true
     hasAdvancedComputeOptions: true
-  - version: '7.2'
+  - version: "7.2"
     isDefault: false
     build: Intel
     hasAdvancedComputeOptions: true
-  - version: '7.2'
+  - version: "7.2"
     isDefault: false
     build: GNU
     hasAdvancedComputeOptions: true

applications/exabyteml.yml

@@ -1,7 +1,7 @@
 name: exabyteml
 shortName: ml
 summary: Exabyte Machine Learning Engine
-defaultVersion: '0.2.0'
+defaultVersion: "0.2.0"
 versions:
-  - version: '0.2.0'
+  - version: "0.2.0"
     isDefault: true

applications/jupyterLab.yml

@@ -1,10 +1,10 @@
 name: jupyterLab
 shortName: jl
 summary: JupyterLab
-defaultVersion: '3.0.3'
+defaultVersion: "3.0.3"
 versions:
-  - version: '3.0.3'
+  - version: "3.0.3"
     isDefault: true
-  - version: '3.0.3'
+  - version: "3.0.3"
     isDefault: false
     build: with-pre-installed-packages

applications/nwchem.yml

@@ -1,8 +1,8 @@
 name: nwchem
 shortName: nwchem
 summary: NWChem
-defaultVersion: '7.0.2'
+defaultVersion: "7.0.2"
 versions:
-  - version: '7.0.2'
+  - version: "7.0.2"
     isDefault: true
-  - version: '6.6'
+  - version: "6.6"

applications/python.yml

@@ -1,11 +1,11 @@
 name: python
 shortName: py
 summary: Python Script
-defaultVersion: '3.8.6'
+defaultVersion: "3.8.6"
 versions:
-  - version: '3.6.12'
-  - version: '3.7.9'
-  - version: '3.8.6'
+  - version: "3.6.12"
+  - version: "3.7.9"
+  - version: "3.8.6"
     isDefault: true
-  - version: '3.9.1'
-  - version: 'anaconda3-5.2.0'
+  - version: "3.9.1"
+  - version: "anaconda3-5.2.0"

applications/shell.yml

@@ -1,7 +1,7 @@
 name: shell
 shortName: sh
 summary: Shell Script
-defaultVersion: '4.2.46'
+defaultVersion: "4.2.46"
 versions:
-  - version: '4.2.46'
+  - version: "4.2.46"
     isDefault: true

applications/vasp.yml

@@ -1,33 +1,33 @@
 name: vasp
 shortName: vasp
 summary: Vienna Ab-initio Simulation Package
-defaultVersion: '5.3.5'
+defaultVersion: "5.3.5"
 isLicensed: true
 versions:
   #### version 5.3.5 ####
-  - version: '5.3.5'
+  - version: "5.3.5"
     isDefault: true
-  - version: '5.3.5'
+  - version: "5.3.5"
     isDefault: false
     build: Non-collinear
-  - version: '5.3.5'
+  - version: "5.3.5"
     isDefault: false
     build: VTST
   #### version 5.4.4 ####
-  - version: '5.4.4'
+  - version: "5.4.4"
     isDefault: true
-  - version: '5.4.4'
+  - version: "5.4.4"
     isDefault: false
     build: Gamma
-  - version: '5.4.4'
+  - version: "5.4.4"
     isDefault: false
     build: Non-collinear
-  - version: '5.4.4'
+  - version: "5.4.4"
     isDefault: false
     build: VTST
-  - version: '5.4.4'
+  - version: "5.4.4"
     isDefault: false
     build: VTST-Gamma
-  - version: '5.4.4'
+  - version: "5.4.4"
     isDefault: false
     build: VTST-Non-collinear

assets/python/ml/generation/config.yaml

@@ -1,4 +1,4 @@
-pyml_render_output_directory: '..'
+pyml_render_output_directory: ".."
 documentation_box_common_text:
   regression: >
     When then workflow is in Training mode, the model is trained
@@ -24,7 +24,7 @@ documentation_box_common_text:
     In k-means clustering, the labels are not provided ahead of
     time. Instead, one supplies the number of groups the algorithm
     should split the dataset into. Here, we set our own default of
-    4 groups (fewer than sklearn's default of 8). Otherwise, the
+    4 groups (fewer than sklearn"s default of 8). Otherwise, the
     default parameters of the clustering method are the same as
     in sklearn.