Merge pull request #83 from Exabyte-io/chore/SOF-5945

Chore/sof 5945

.github/workflows/cicd.yml

@@ -1,12 +1,32 @@
 name: Continuous Testing and Publication from 'dev'
 
-on: [push]
+on: [push] # yamllint disable-line rule:truthy
 
 concurrency:
   group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
   cancel-in-progress: true
 
 jobs:
+  run-linter:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Checkout this repository
+        uses: actions/checkout@v2
+        with:
+          lfs: true
+
+      - name: Checkout actions repository
+        uses: actions/checkout@v2
+        with:
+          repository: Exabyte-io/actions
+          token: ${{ secrets.BOT_GITHUB_TOKEN }}
+          path: actions
+
+      - name: Run Yaml linter
+        uses: ./actions/yaml/lint
+        with:
+          python-version: 3.8
 
   run-py-tests:
     runs-on: ubuntu-latest
@@ -37,8 +57,8 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        node-version: 
-          - 12.x 
+        node-version:
+          - 12.x
           - 14.x
           - 16.x
 

.husky/pre-commit

@@ -1,4 +1,11 @@
 #!/bin/sh
 . "$(dirname "$0")/_/husky.sh"
 
+SRC_PATTERN="\.y(a?ml)$"
+if git diff --cached --name-only | grep --quiet -E "$SRC_PATTERN"
+then
+  echo "Yaml assets changed. Running build script."
+  npm run build:assets
+fi
+
 npx lint-staged

.prettierignore

@@ -0,0 +1,2 @@
+# Ignore auto-generated files
+src/js/data/*

.yamllint.yml

@@ -0,0 +1,25 @@
+---
+
+extends: default
+
+rules:
+  line-length:
+    max: 100
+  empty-lines:
+    level: warning
+    max-end: 1
+  quoted-strings:
+    quote-type: single
+    required: false
+  indentation:
+    spaces: 2
+    indent-sequences: consistent
+  document-start: disable
+  comments:
+    min-spaces-from-content: 1
+  comments-indentation: disable
+
+ignore: |
+  node_modules/
+  test/
+  tests/

applications/application_data.yml

@@ -0,0 +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'

applications/espresso.yml

@@ -0,0 +1,97 @@
+name: espresso
+shortName: qe
+summary: Quantum Espresso
+defaultVersion: '5.4.0'
+versions:
+  #### version 5.2.1 ####
+  - version: '5.2.1'
+    isDefault: true
+    hasAdvancedComputeOptions: true
+  - version: '5.2.1'
+    isDefault: false
+    build: GNU
+    hasAdvancedComputeOptions: true
+  - version: '5.2.1'
+    isDefault: false
+    build: Intel
+    hasAdvancedComputeOptions: true
+  #### version 5.4.0 ####
+  - version: '5.4.0'
+    isDefault: true
+    hasAdvancedComputeOptions: true
+  - version: '5.4.0'
+    isDefault: false
+    build: GNU
+    hasAdvancedComputeOptions: true
+  - version: '5.4.0'
+    isDefault: false
+    build: Intel
+    hasAdvancedComputeOptions: true
+  #### version 6.0.0 ####
+  - version: '6.0.0'
+    isDefault: true
+    hasAdvancedComputeOptions: true
+  - version: '6.0.0'
+    isDefault: false
+    build: GNU
+    hasAdvancedComputeOptions: true
+  - version: '6.0.0'
+    isDefault: false
+    build: Intel
+    hasAdvancedComputeOptions: true
+  #### version 6.3 ####
+  - version: '6.3'
+    isDefault: true
+    hasAdvancedComputeOptions: true
+  - version: '6.3'
+    isDefault: false
+    build: GNU
+    hasAdvancedComputeOptions: true
+  - version: '6.3'
+    isDefault: false
+    build: Intel
+    hasAdvancedComputeOptions: true
+  #### version 6.4.1 ####
+  - version: '6.4.1'
+    isDefault: true
+    hasAdvancedComputeOptions: true
+  #### version 6.5.0 ####
+  - version: '6.5.0'
+    isDefault: true
+    hasAdvancedComputeOptions: true
+  #### version 6.6.0 ####
+  - version: '6.6.0'
+    isDefault: true
+    hasAdvancedComputeOptions: true
+  #### version 6.7.0 ####
+  - version: '6.7.0'
+    isDefault: true
+    hasAdvancedComputeOptions: true
+  #### version 6.8.0 ####
+  - version: '6.8.0'
+    isDefault: true
+    hasAdvancedComputeOptions: true
+  #### version 7.0 ####
+  - version: '7.0'
+    isDefault: true
+    hasAdvancedComputeOptions: true
+  - version: '7.0'
+    isDefault: false
+    build: GNU
+    hasAdvancedComputeOptions: true
+  - version: '7.0'
+    isDefault: false
+    build: Intel
+    hasAdvancedComputeOptions: true
+  #### version 7.2 ####
+  - version: '7.2'
+    isDefault: true
+    hasAdvancedComputeOptions: true
+  - version: '7.2'
+    isDefault: false
+    build: Intel
+    hasAdvancedComputeOptions: true
+  - version: '7.2'
+    isDefault: false
+    build: GNU
+    hasAdvancedComputeOptions: true

applications/exabyteml.yml

@@ -0,0 +1,7 @@
+name: exabyteml
+shortName: ml
+summary: Exabyte Machine Learning Engine
+defaultVersion: '0.2.0'
+versions:
+  - version: '0.2.0'
+    isDefault: true

applications/jupyterLab.yml

@@ -0,0 +1,10 @@
+name: jupyterLab
+shortName: jl
+summary: JupyterLab
+defaultVersion: '3.0.3'
+versions:
+  - version: '3.0.3'
+    isDefault: true
+  - version: '3.0.3'
+    isDefault: false
+    build: with-pre-installed-packages

applications/nwchem.yml

@@ -0,0 +1,8 @@
+name: nwchem
+shortName: nwchem
+summary: NWChem
+defaultVersion: '7.0.2'
+versions:
+  - version: '7.0.2'
+    isDefault: true
+  - version: '6.6'

applications/python.yml

@@ -0,0 +1,11 @@
+name: python
+shortName: py
+summary: Python Script
+defaultVersion: '3.8.6'
+versions:
+  - version: '3.6.12'
+  - version: '3.7.9'
+  - version: '3.8.6'
+    isDefault: true
+  - version: '3.9.1'
+  - version: 'anaconda3-5.2.0'

applications/shell.yml

@@ -0,0 +1,7 @@
+name: shell
+shortName: sh
+summary: Shell Script
+defaultVersion: '4.2.46'
+versions:
+  - version: '4.2.46'
+    isDefault: true

applications/vasp.yml

@@ -0,0 +1,33 @@
+name: vasp
+shortName: vasp
+summary: Vienna Ab-initio Simulation Package
+defaultVersion: '5.3.5'
+isLicensed: true
+versions:
+  #### version 5.3.5 ####
+  - version: '5.3.5'
+    isDefault: true
+  - version: '5.3.5'
+    isDefault: false
+    build: Non-collinear
+  - version: '5.3.5'
+    isDefault: false
+    build: VTST
+  #### version 5.4.4 ####
+  - version: '5.4.4'
+    isDefault: true
+  - version: '5.4.4'
+    isDefault: false
+    build: Gamma
+  - version: '5.4.4'
+    isDefault: false
+    build: Non-collinear
+  - version: '5.4.4'
+    isDefault: false
+    build: VTST
+  - version: '5.4.4'
+    isDefault: false
+    build: VTST-Gamma
+  - 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