feat: update package to native module

Author: lpatiny

.babelrc

@@ -1,19 +1,17 @@
 {
   "name": "ir-spectrum",
   "version": "3.1.0",
-  "description": "",
-  "main": "lib/index.js",
-  "module": "src/index.js",
+  "description": "Package used to handle IR spectra in SciPeaks.",
+  "type": "module",
+  "exports": "src/index.js",
   "files": [
-    "lib",
     "src"
   ],
   "scripts": {
     "build": "cheminfo-build  --entry src/index.js --root IRSpectrum",
     "build-doc": "cheminfo doc",
     "eslint": "eslint src",
     "eslint-fix": "npm run eslint -- --fix",
-    "prepack": "rollup -c",
     "prettier": "prettier --check src",
     "prettier-write": "prettier --write src",
     "test": "npm run test-coverage && npm run eslint && npm run prettier",
@@ -31,25 +29,20 @@
     "url": "https://github.com/cheminfo/ir-spectrum/issues"
   },
   "homepage": "https://github.com/cheminfo/ir-spectrum#readme",
-  "jest": {
-    "testEnvironment": "node"
-  },
   "devDependencies": {
-    "@babel/plugin-transform-modules-commonjs": "^7.25.9",
-    "@vitest/coverage-v8": "^2.1.5",
-    "cheminfo-build": "^1.2.0",
-    "codecov": "^3.8.3",
-    "eslint": "^9.14.0",
-    "eslint-config-cheminfo": "^12.0.1",
+    "@babel/plugin-transform-modules-commonjs": "^7.27.1",
+    "@vitest/coverage-v8": "^3.2.4",
+    "cheminfo-build": "^1.2.1",
+    "eslint": "^9.32.0",
+    "eslint-config-cheminfo": "^15.0.1",
     "esm": "^3.2.25",
     "jest-matcher-deep-close-to": "^3.0.2",
-    "prettier": "^3.3.3",
-    "rollup": "^4.26.0",
-    "vitest": "^2.1.5"
+    "prettier": "^3.6.2",
+    "vitest": "^3.2.4"
   },
   "dependencies": {
     "common-spectrum": "2.12.0",
-    "ml-gsd": "^12.1.8",
+    "ml-gsd": "^13.0.1",
     "spc-parser": "^1.0.0",
     "uninstall": "^0.0.0"
   },

package.json

@@ -2,9 +2,9 @@ import { readFileSync } from 'node:fs';
 import { join } from 'node:path';
 
 import { toBeDeepCloseTo, toMatchCloseTo } from 'jest-matcher-deep-close-to';
-import { test, expect } from 'vitest';
+import { expect, test } from 'vitest';
 
-import { fromJcamp, autoPeakPicking, peakPicking } from '..';
+import { autoPeakPicking, fromJcamp, peakPicking } from '..';
 
 expect.extend({ toBeDeepCloseTo, toMatchCloseTo });
 
@@ -14,6 +14,7 @@ test('autoPeakPicking', () => {
   const result = fromJcamp(jcamp);
 
   const peak = peakPicking(result.getSpectrum(), 1043);
+
   expect(peak).toBeDeepCloseTo({
     wavenumber: 1043.3171784680487,
     absorbance: 0.29902676,

rollup.config.mjs

@@ -2,7 +2,7 @@ import { readFileSync } from 'node:fs';
 import { join } from 'node:path';
 
 import { toBeDeepCloseTo, toMatchCloseTo } from 'jest-matcher-deep-close-to';
-import { describe, it, expect } from 'vitest';
+import { describe, expect, it } from 'vitest';
 
 import { fromJcamp } from '../fromJcamp';
 
@@ -35,6 +35,7 @@ describe('fromJcamp', () => {
     expect(first.variables.t.min).toBeDeepCloseTo(1.6, 5);
     expect(first.variables.t.max).toBeDeepCloseTo(91.7, 5);
   });
+
   it('transmittance_percent', () => {
     let jcamp = readFileSync(
       join(__dirname, './data/transmittance_percent.jdx'),
@@ -60,6 +61,7 @@ describe('fromJcamp', () => {
     expect(first.variables.t.min).toBeDeepCloseTo(31.233769, 5);
     expect(first.variables.t.max).toBeDeepCloseTo(100.400625, 5);
   });
+
   it('absorbance', () => {
     let jcamp = readFileSync(join(__dirname, './data/absorbance.jdx'), 'utf8');
 

src/__tests__/index.test.js

@@ -3,21 +3,24 @@ import { join } from 'node:path';
 
 import { toJcamp } from 'common-spectrum';
 import { toBeDeepCloseTo, toMatchCloseTo } from 'jest-matcher-deep-close-to';
-import { describe, it, expect } from 'vitest';
+import { describe, expect, it } from 'vitest';
 
 import { fromSPC } from '../fromSPC';
 
 expect.extend({ toBeDeepCloseTo, toMatchCloseTo });
+
 describe('fromSPC', () => {
   it('fromSPC', () => {
     let buffer = readFileSync(join(__dirname, './data/absorbance.spc'));
 
     let analysis = fromSPC(buffer);
     let jcamp = toJcamp(analysis, {});
+
     expect(jcamp.split('\n')).toHaveLength(1833);
     expect(analysis.spectra).toHaveLength(1);
 
     let first = analysis.spectra[0];
+
     expect(first.variables.x.data).toHaveLength(1776);
     expect(first.variables.y.data).toHaveLength(1776);
     expect(first.variables.a.data).toHaveLength(1776);
@@ -34,11 +37,13 @@ describe('fromSPC', () => {
     expect(first.variables.t.max).toBeDeepCloseTo(10000, 5);
     expect(Object.keys(first.variables)).toStrictEqual(['x', 'y', 'a', 't']);
   });
+
   it('resolutionPro', () => {
     let buffer = readFileSync(join(__dirname, './data/resolutionPro.spc'));
 
     let analysis = fromSPC(buffer);
     const variables = analysis.spectra[0].variables;
+
     expect(Object.keys(variables)).toStrictEqual(['x', 'y', 'a', 't']);
   });
 });

src/from/__tests__/fromJcamp.test.js

@@ -7,7 +7,7 @@ import {
 import { convertPeak } from './convertPeak.js';
 import { getAnnotations } from './jsgraph/getAnnotations';
 
-export { Analysis, AnalysesManager, toJcamp } from 'common-spectrum';
+export { AnalysesManager, Analysis, toJcamp } from 'common-spectrum';
 
 export function peakPicking(spectrum, target, options) {
   const peak = originalPeakPicking(spectrum, target, options);