SOF-7915: export physical constants via python interface

.github/workflows/cicd.yml

@@ -15,21 +15,22 @@ jobs:
 
     steps:
       - name: Checkout this repository
-        uses: actions/checkout@v4
+        uses: actions/checkout@9c091bb21b7c1c1d1991bb908d89e4e9dddfe3e0 # v7.0.0
         with:
           lfs: true
 
       - name: Checkout actions repository
-        uses: actions/checkout@v4
+        uses: actions/checkout@9c091bb21b7c1c1d1991bb908d89e4e9dddfe3e0 # v7.0.0
         with:
-          repository: Exabyte-io/actions
+          repository: mat3ra/actions
           token: ${{ secrets.BOT_GITHUB_TOKEN }}
           path: actions
 
       - name: Run ruff linter
         uses: ./actions/py/lint
         with:
           python-version: ${{ matrix.python-version }}
+          ruff-version: 0.15.20
 
   run-py-tests:
     needs: run-py-linter
@@ -43,14 +44,14 @@ jobs:
 
     steps:
       - name: Checkout this repository
-        uses: actions/checkout@v4
+        uses: actions/checkout@9c091bb21b7c1c1d1991bb908d89e4e9dddfe3e0 # v7.0.0
         with:
           lfs: true
 
       - name: Checkout actions repository
-        uses: actions/checkout@v4
+        uses: actions/checkout@9c091bb21b7c1c1d1991bb908d89e4e9dddfe3e0 # v7.0.0
         with:
-          repository: Exabyte-io/actions
+          repository: mat3ra/actions
           token: ${{ secrets.BOT_GITHUB_TOKEN }}
           path: actions
 
@@ -70,14 +71,14 @@ jobs:
 
     steps:
       - name: Checkout this repository
-        uses: actions/checkout@v4
+        uses: actions/checkout@9c091bb21b7c1c1d1991bb908d89e4e9dddfe3e0 # v7.0.0
         with:
           lfs: true
 
       - name: Checkout actions repository
-        uses: actions/checkout@v4
+        uses: actions/checkout@9c091bb21b7c1c1d1991bb908d89e4e9dddfe3e0 # v7.0.0
         with:
-          repository: Exabyte-io/actions
+          repository: mat3ra/actions
           token: ${{ secrets.BOT_GITHUB_TOKEN }}
           path: actions
 
@@ -102,12 +103,12 @@ jobs:
 
     steps:
       - name: Checkout this repository
-        uses: actions/checkout@v4
+        uses: actions/checkout@9c091bb21b7c1c1d1991bb908d89e4e9dddfe3e0 # v7.0.0
 
       - name: Checkout actions repository
-        uses: actions/checkout@v4
+        uses: actions/checkout@9c091bb21b7c1c1d1991bb908d89e4e9dddfe3e0 # v7.0.0
         with:
-          repository: Exabyte-io/actions
+          repository: mat3ra/actions
           token: ${{ secrets.BOT_GITHUB_TOKEN }}
           path: actions
 
@@ -128,14 +129,14 @@ jobs:
 
     steps:
       -   name: Checkout this repository
-          uses: actions/checkout@v4
+          uses: actions/checkout@9c091bb21b7c1c1d1991bb908d89e4e9dddfe3e0 # v7.0.0
           with:
             lfs: true
 
       -   name: Checkout actions repository
-          uses: actions/checkout@v4
+          uses: actions/checkout@9c091bb21b7c1c1d1991bb908d89e4e9dddfe3e0 # v7.0.0
           with:
-            repository: Exabyte-io/actions
+            repository: mat3ra/actions
             token: ${{ secrets.BOT_GITHUB_TOKEN }}
             path: actions
 

.husky/pre-commit

@@ -1,16 +1,18 @@
 #!/bin/sh
 . "$(dirname "$0")/_/husky.sh"
 
-#### Below is an example of how to rebuild JS and PY assets if JSON assets have changed.
-# SRC_PATTERN="\.json$"
-# if git diff --cached --name-only | grep --quiet -E "$SRC_PATTERN"
-# then
-#   echo "JSON assets changed. Running build scripts."
-#   echo "Re-building JS and PY assets using JS script."
-#   npm run build:js-and-python-modules
-# fi
+SRC_PATTERN="constants\.json$"
+if git diff --cached --name-only | grep --quiet -E "$SRC_PATTERN"
+then
+  echo "JSON assets changed. Running build scripts."
+  # Run your custom script to generate constants.py and constants.js
+  npm run build:constants
+
+  # Stage the newly generated files
+  git add src/py/mat3ra/utils/constants.py
+  git add src/js/shared/constants.js
+fi
 
-# Automatically lint staged files in pre-commit hook
 npm run transpile
 npx lint-staged
 git add dist/js

dist/js/shared/constants.d.ts

@@ -26,5 +26,6 @@ declare namespace _default {
     export { tolerance };
     export { units };
     export { ATOMIC_COORD_UNITS };
+    export { HASH_TOLERANCE };
 }
 export default _default;

dist/js/shared/constants.js

@@ -1,37 +1,35 @@
 "use strict";
+// This file is autogenerated from src/shared/constants.yaml
+// DO NOT EDIT DIRECTLY! Edit above YAML file and run 'npm run build:constants'.
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.HASH_TOLERANCE = exports.ATOMIC_COORD_UNITS = exports.units = exports.tolerance = exports.coefficients = void 0;
 exports.coefficients = {
-    EV_TO_RY: 0.0734986176,
-    BOHR_TO_ANGSTROM: 0.52917721092,
-    ANGSTROM_TO_BOHR: 1 / 0.52917721092,
-    EV_A_TO_RY_BOHR: 1 / 25.71104309541616,
+    "EV_TO_RY": 0.0734986444,
+    "BOHR_TO_ANGSTROM": 0.529177210544,
+    "ANGSTROM_TO_BOHR": 1.8897261259077822,
+    "EV_A_TO_RY_BOHR": 0.0388938075966032
 };
 exports.tolerance = {
-    // in crystal coordinates
-    length: 0.01,
-    lengthAngstrom: 0.001,
-    pointsDistance: 0.001,
+    "length": 0.01,
+    "lengthAngstrom": 0.001,
+    "pointsDistance": 0.001
 };
 exports.units = {
-    bohr: "bohr",
-    angstrom: "angstrom",
-    degree: "degree",
-    radian: "radian",
-    alat: "alat",
+    "bohr": "bohr",
+    "angstrom": "angstrom",
+    "degree": "degree",
+    "radian": "radian",
+    "alat": "alat"
 };
-/**
- * @summary Coordinates units for a material's basis.
- */
 exports.ATOMIC_COORD_UNITS = {
-    crystal: "crystal",
-    cartesian: "cartesian",
+    "crystal": "crystal",
+    "cartesian": "cartesian"
 };
-// Only 3 digits will be considered for lattice and basis params for hashing
 exports.HASH_TOLERANCE = 3;
 exports.default = {
     coefficients: exports.coefficients,
     tolerance: exports.tolerance,
     units: exports.units,
     ATOMIC_COORD_UNITS: exports.ATOMIC_COORD_UNITS,
+    HASH_TOLERANCE: exports.HASH_TOLERANCE,
 };