From b40551b454a6d7c01204a3eee64c769b925e9c13 Mon Sep 17 00:00:00 2001 From: VsevolodX <79542055+VsevolodX@users.noreply.github.com> Date: Thu, 19 Dec 2024 12:38:50 -0800 Subject: [PATCH 01/10] update: bump tsconfig --- .eslintrc.json | 3 +- .github/workflows/cicd.yml | 16 +- .gitignore | 4 +- .pre-commit-config.yaml | 6 +- build_runtime_data.js | 9 +- package-lock.json | 7992 ++++++++++++++++++++++++------------ package.json | 4 +- src/js/cli.ts | 7 +- tsconfig.json | 2 +- 9 files changed, 5322 insertions(+), 2721 deletions(-) diff --git a/.eslintrc.json b/.eslintrc.json index 67ab78b..c5f0848 100644 --- a/.eslintrc.json +++ b/.eslintrc.json @@ -41,5 +41,6 @@ "@typescript-eslint" ] } - ] + ], + "ignorePatterns": ["dist/*"] } diff --git a/.github/workflows/cicd.yml b/.github/workflows/cicd.yml index 99094a8..0991de3 100644 --- a/.github/workflows/cicd.yml +++ b/.github/workflows/cicd.yml @@ -11,7 +11,7 @@ jobs: runs-on: ubuntu-20.04 strategy: matrix: - python-version: [3.8.6] + python-version: [3.10.13] steps: - name: Checkout this repository @@ -48,7 +48,11 @@ jobs: runs-on: ubuntu-20.04 strategy: matrix: - python-version: [3.8.6, 3.9.x] + python-version: + - 3.10.x + - 3.11.x + - 3.12.x + - 3.13.x steps: - name: Checkout this repository @@ -73,7 +77,7 @@ jobs: runs-on: ubuntu-latest strategy: matrix: - node-version: [14.x, 20.x] + node-version: [20.x] steps: - name: Checkout this repository @@ -91,7 +95,7 @@ jobs: - name: Run JS validate uses: ./actions/js/validate with: - node-version: '14.x' + node-version: '20.x' skip-eslint: 'true' - name: Run JS tests @@ -119,7 +123,7 @@ jobs: - name: Publish JS release uses: ./actions/js/publish with: - node-version: 14.19.x + node-version: 20.x npm-token: ${{ secrets.NPM_TOKEN }} github-token: ${{ secrets.BOT_GITHUB_TOKEN }} publish-tag: 'true' @@ -145,7 +149,7 @@ jobs: - name: Publish python release uses: ./actions/py/publish with: - python-version: 3.x + python-version: 3.10.13 github-token: ${{ secrets.BOT_GITHUB_TOKEN }} pypi-api-token: ${{ secrets.PYPI_API_TOKEN }} publish-tag: 'false' diff --git a/.gitignore b/.gitignore index 40f53c0..fedc409 100644 --- a/.gitignore +++ b/.gitignore @@ -11,7 +11,7 @@ __pycache__/ build/ !src/py/mat3ra/standata/build develop-eggs/ -dist/ +#dist/ downloads/ eggs/ .eggs/ @@ -122,7 +122,7 @@ celerybeat.pid # Environments .env -.venv +.venv* env/ venv/ ENV/ diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index c44cf92..8a16675 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -9,10 +9,10 @@ repos: pass_filenames: false verbose: true files: ^materials/sources/|create_materials.py - - id: recreate-runtime-date - name: recreate-runtime-date + - id: recreate-dist + name: recreate-dist language: system - entry: npm run build:runtime-data && exit 0 + entry: npm run build:dist && exit 0 pass_filenames: false verbose: true files: ^materials|applications|workflows|properties/ diff --git a/build_runtime_data.js b/build_runtime_data.js index 9027b34..28f26df 100644 --- a/build_runtime_data.js +++ b/build_runtime_data.js @@ -39,23 +39,24 @@ function buildAsset({ console.log(`Written entity category map to "${assetPath}" to "${targetPath}"`); } +const runtimeDataDir = "./dist/js/runtime_data"; // JS Modules buildAsset({ assetPath: "./materials/categories.yml", - targetPath: "./src/js/runtime_data/materials.json", + targetPath: `${runtimeDataDir}/materials.json`, }); buildAsset({ assetPath: "./properties/categories.yml", - targetPath: "./src/js/runtime_data/properties.json", + targetPath: `${runtimeDataDir}/properties.json`, }); buildAsset({ assetPath: "./applications/categories.yml", - targetPath: "./src/js/runtime_data/applications.json", + targetPath: `${runtimeDataDir}/applications.json`, }); buildAsset({ assetPath: "./workflows/categories.yml", - targetPath: "./src/js/runtime_data/workflows.json", + targetPath: `${runtimeDataDir}/workflows.json`, }); // Py Modules diff --git a/package-lock.json b/package-lock.json index 6c2383d..9a5e89e 100644 --- a/package-lock.json +++ b/package-lock.json @@ -1,57 +1,115 @@ { "name": "@mat3ra/standata", "version": "0.0.0", - "lockfileVersion": 1, + "lockfileVersion": 3, "requires": true, - "dependencies": { - "@aashutoshrathi/word-wrap": { + "packages": { + "": { + "name": "@mat3ra/standata", + "version": "0.0.0", + "license": "Apache-2.0", + "dependencies": { + "@babel/cli": "7.16.0", + "@babel/core": "7.24.1", + "@babel/eslint-parser": "7.16.3", + "@babel/plugin-proposal-class-properties": "7.16.0", + "@babel/preset-env": "7.16.4", + "@babel/preset-react": "7.16.7", + "@babel/preset-typescript": "^7.22.5", + "@babel/register": "^7.16.0", + "@babel/runtime-corejs3": "7.16.8", + "cmd-ts": "^0.13.0", + "js-yaml": "^4.1.0", + "ts-node": "^10.9.1", + "typescript": "^4.5.5" + }, + "devDependencies": { + "@exabyte-io/eslint-config": "^2022.11.17-0", + "@mat3ra/tsconfig": "^2024.6.3-0", + "@types/chai": "^4.3.5", + 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+ "url": "https://github.com/sponsors/sindresorhus" + } } } } diff --git a/package.json b/package.json index 3c1dd2a..39c7a14 100644 --- a/package.json +++ b/package.json @@ -27,7 +27,7 @@ }, "devDependencies": { "@exabyte-io/eslint-config": "^2022.11.17-0", - "@mat3ra/tsconfig": "^2024.3.21-5", + "@mat3ra/tsconfig": "^2024.6.3-0", "@types/chai": "^4.3.5", "@types/js-yaml": "^4.0.5", "@types/mocha": "^10.0.1", @@ -56,10 +56,10 @@ "scripts": { "build:categories": "ts-node src/js/cli.ts", "build:runtime-data": "node build_runtime_data.js", + "build:dist": "npm run transpile && npm run build:runtime-data", "lint": "eslint --cache src/js tests/js && prettier --write src/js tests/js", "lint:fix": "eslint --fix --cache src/js tests/js && prettier --write src/js tests/js", "lint:staged": "lint-staged", - "postinstall": "npm run transpile && cp -r src/js/runtime_data dist/", "prettier": "prettier --check src/js tests/js", "test": "mocha", "transpile": "tsc" diff --git a/src/js/cli.ts b/src/js/cli.ts index b339e9c..66e9c25 100644 --- a/src/js/cli.ts +++ b/src/js/cli.ts @@ -1,5 +1,4 @@ -import { command, option, optional, positional, run } from "cmd-ts"; -import { Directory, File } from "cmd-ts/batteries/fs"; +import { command, option, optional, positional, run, string } from "cmd-ts"; import * as fs from "fs"; import yaml from "js-yaml"; import * as path from "path"; @@ -48,12 +47,12 @@ const app = command({ description: "Sort entity files by category (as symlinks).", args: { entityConfigPath: positional({ - type: File, + type: string, displayName: "CONFIG", description: "The entity config file (usually 'categories.yml')", }), destination: option({ - type: optional(Directory), + type: optional(string), long: "destination", short: "d", description: "Where to place symlink directory.", diff --git a/tsconfig.json b/tsconfig.json index 698e23e..62584c2 100644 --- a/tsconfig.json +++ b/tsconfig.json @@ -1,3 +1,3 @@ { - "extends": "@mat3ra/tsconfig/tsconfig.json" + "extends": "@mat3ra/tsconfig/tsconfig-js-py-transpile.json", } From 5c100f4539fd441eee0f22c8a8ef957b76a38f47 Mon Sep 17 00:00:00 2001 From: VsevolodX <79542055+VsevolodX@users.noreply.github.com> Date: Thu, 19 Dec 2024 12:45:17 -0800 Subject: [PATCH 02/10] chore: bump node version --- package.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/package.json b/package.json index 39c7a14..7fe418f 100644 --- a/package.json +++ b/package.json @@ -65,7 +65,7 @@ "transpile": "tsc" }, "engines": { - "node": ">=12.0.0" + "node": ">=20.0.0" }, "lint-staged": { "*.{js,ts,tsx}": "eslint --cache --fix", From 248b0235eeae2d76f2713f0819cd7c8cbedbffb7 Mon Sep 17 00:00:00 2001 From: VsevolodX <79542055+VsevolodX@users.noreply.github.com> Date: Thu, 19 Dec 2024 12:48:35 -0800 Subject: [PATCH 03/10] chore: readme --- README.md | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/README.md b/README.md index 8b7430e..a0da5d1 100644 --- a/README.md +++ b/README.md @@ -6,7 +6,7 @@ Standard data for digital materials R&D entities in the [ESSE](https://github.co ### 1.1. Python -The package is compatible with Python 3.8+. It can be installed as a Python package either via PyPI: +The package is compatible with Python 3.10+. It can be installed as a Python package either via PyPI: ```shell pip install mat3ra-standata @@ -164,5 +164,3 @@ Brackets: Wrap common name and identifier parts in square brackets `[]`. - C-[Graphene]-HEX_[P6%2Fmmm]_2D_[Monolayer]-[mp-1040425] ## 5. Links - -To be added here. From 8b83a41866667288c10ba6d5f268551def5887d3 Mon Sep 17 00:00:00 2001 From: VsevolodX <79542055+VsevolodX@users.noreply.github.com> Date: Thu, 19 Dec 2024 12:50:43 -0800 Subject: [PATCH 04/10] chore: commit dist --- dist/js/application.d.ts | 36 + dist/js/application.js | 13 + dist/js/base.d.ts | 35 + dist/js/base.js | 76 ++ dist/js/cli.d.ts | 1 + dist/js/cli.js | 103 ++ dist/js/index.d.ts | 5 + dist/js/index.js | 43 + dist/js/material.d.ts | 1247 ++++++++++++++++++++++++ dist/js/material.js | 13 + dist/js/property.d.ts | 39 + dist/js/property.js | 13 + dist/js/runtime_data/applications.json | 1 + dist/js/runtime_data/materials.json | 1 + dist/js/runtime_data/properties.json | 1 + dist/js/runtime_data/workflows.json | 1 + dist/js/workflow.d.ts | 366 +++++++ dist/js/workflow.js | 13 + 18 files changed, 2007 insertions(+) create mode 100644 dist/js/application.d.ts create mode 100644 dist/js/application.js create mode 100644 dist/js/base.d.ts create mode 100644 dist/js/base.js create mode 100644 dist/js/cli.d.ts create mode 100644 dist/js/cli.js create mode 100644 dist/js/index.d.ts create mode 100644 dist/js/index.js create mode 100644 dist/js/material.d.ts create mode 100644 dist/js/material.js create mode 100644 dist/js/property.d.ts create mode 100644 dist/js/property.js create mode 100644 dist/js/runtime_data/applications.json create mode 100644 dist/js/runtime_data/materials.json create mode 100644 dist/js/runtime_data/properties.json create mode 100644 dist/js/runtime_data/workflows.json create mode 100644 dist/js/workflow.d.ts create mode 100644 dist/js/workflow.js diff --git a/dist/js/application.d.ts b/dist/js/application.d.ts new file mode 100644 index 0000000..83f5ce2 --- /dev/null +++ b/dist/js/application.d.ts @@ -0,0 +1,36 @@ +import { Standata } from "./base"; +export declare class ApplicationStandata extends Standata { + static runtimeData: { + standataConfig: { + categories: { + model: string[]; + language_type: string[]; + purpose: string[]; + }; + entities: { + filename: string; + categories: string[]; + }[]; + }; + filesMapByName: { + "espresso_gnu_540.json": { + name: string; + shortName: string; + summary: string; + version: string; + build: string; + hasAdvancedComputeOptions: boolean; + isLicensed: boolean; + }; + "python_386.json": { + name: string; + shortName: string; + summary: string; + version: string; + build: string; + hasAdvancedComputeOptions: boolean; + isLicensed: boolean; + }; + }; + }; +} diff --git a/dist/js/application.js b/dist/js/application.js new file mode 100644 index 0000000..576226b --- /dev/null +++ b/dist/js/application.js @@ -0,0 +1,13 @@ +"use strict"; +var __importDefault = + (this && this.__importDefault) || + function (mod) { + return mod && mod.__esModule ? mod : { default: mod }; + }; +Object.defineProperty(exports, "__esModule", { value: true }); +exports.ApplicationStandata = void 0; +const base_1 = require("./base"); +const applications_json_1 = __importDefault(require("./runtime_data/applications.json")); +class ApplicationStandata extends base_1.Standata {} +exports.ApplicationStandata = ApplicationStandata; +ApplicationStandata.runtimeData = applications_json_1.default; diff --git a/dist/js/base.d.ts b/dist/js/base.d.ts new file mode 100644 index 0000000..0af9d41 --- /dev/null +++ b/dist/js/base.d.ts @@ -0,0 +1,35 @@ +interface EntityItem { + filename: string; + categories: string[]; +} +interface EntityCategories { + [key: string]: string[]; +} +export interface StandataConfig { + categories: EntityCategories; + entities: EntityItem[]; +} +interface RuntimeData { + standataConfig: StandataConfig; + filesMapByName: object; +} +export declare class Standata { + static runtimeData: RuntimeData; + static getRuntimeDataConfigs(): any[]; + entities: EntityItem[]; + categories: string[]; + protected categoryMap: EntityCategories; + protected lookupTable: { + [key: string]: Set; + }; + constructor(config?: StandataConfig); + flattenCategories(separator?: string): string[]; + convertTagToCategory(...tags: string[]): string[]; + protected createLookupTable(): { + [key: string]: Set; + }; + protected loadEntity(filename: string): object | undefined; + protected filterByCategories(...categories: string[]): string[]; + findEntitiesByTags(...tags: string[]): object[]; +} +export {}; diff --git a/dist/js/base.js b/dist/js/base.js new file mode 100644 index 0000000..1afc577 --- /dev/null +++ b/dist/js/base.js @@ -0,0 +1,76 @@ +"use strict"; +Object.defineProperty(exports, "__esModule", { value: true }); +exports.Standata = void 0; +class Standata { + static getRuntimeDataConfigs() { + return Object.values(this.runtimeData.filesMapByName); + } + constructor(config) { + const ctor = this.constructor; + this.categoryMap = config ? config.categories : ctor.runtimeData.standataConfig.categories; + this.entities = config ? config.entities : ctor.runtimeData.standataConfig.entities; + this.categories = this.flattenCategories(); + this.lookupTable = this.createLookupTable(); + } + flattenCategories(separator = "/") { + const categories = Object.entries(this.categoryMap) + .flatMap(([type, tags]) => tags.map((t) => `${type}${separator}${t}`)) + .sort((a, b) => a.localeCompare(b)); + return [...new Set(categories)]; + } + convertTagToCategory(...tags) { + return this.categories.filter((c) => tags.some((t) => c.split("/")[1] === t)); + } + createLookupTable() { + const lookupTable = {}; + // eslint-disable-next-line no-restricted-syntax + for (const entity of this.entities) { + const categories_ = this.convertTagToCategory(...entity.categories); + const { filename } = entity; + // eslint-disable-next-line no-restricted-syntax + for (const category of categories_) { + if (category in lookupTable) { + lookupTable[category].add(filename); + } else { + lookupTable[category] = new Set([filename]); + } + } + } + return lookupTable; + } + loadEntity(filename) { + var _a, _b; + const ctor = this.constructor; + return (_b = + (_a = ctor.runtimeData) === null || _a === void 0 ? void 0 : _a.filesMapByName) === + null || _b === void 0 + ? void 0 + : _b[filename]; + } + filterByCategories(...categories) { + if (!categories.length) { + return []; + } + let filenames = this.entities.map((e) => e.filename); + // eslint-disable-next-line no-restricted-syntax + for (const category of categories) { + filenames = filenames.filter((f) => { + var _a; + return (_a = this.lookupTable[category]) === null || _a === void 0 + ? void 0 + : _a.has(f); + }); + } + return filenames; + } + findEntitiesByTags(...tags) { + const categories_ = this.convertTagToCategory(...tags); + const filenames = this.filterByCategories(...categories_) || []; + return filenames.map((f) => this.loadEntity(f)).filter((e) => e !== undefined); + } +} +exports.Standata = Standata; +Standata.runtimeData = { + standataConfig: { entities: [], categories: {} }, + filesMapByName: {}, +}; diff --git a/dist/js/cli.d.ts b/dist/js/cli.d.ts new file mode 100644 index 0000000..cb0ff5c --- /dev/null +++ b/dist/js/cli.d.ts @@ -0,0 +1 @@ +export {}; diff --git a/dist/js/cli.js b/dist/js/cli.js new file mode 100644 index 0000000..7a65d84 --- /dev/null +++ b/dist/js/cli.js @@ -0,0 +1,103 @@ +"use strict"; +var __createBinding = + (this && this.__createBinding) || + (Object.create + ? function (o, m, k, k2) { + if (k2 === undefined) k2 = k; + var desc = Object.getOwnPropertyDescriptor(m, k); + if (!desc || ("get" in desc ? !m.__esModule : desc.writable || desc.configurable)) { + desc = { + enumerable: true, + get: function () { + return m[k]; + }, + }; + } + Object.defineProperty(o, k2, desc); + } + : function (o, m, k, k2) { + if (k2 === undefined) k2 = k; + o[k2] = m[k]; + }); +var __setModuleDefault = + (this && this.__setModuleDefault) || + (Object.create + ? function (o, v) { + Object.defineProperty(o, "default", { enumerable: true, value: v }); + } + : function (o, v) { + o["default"] = v; + }); +var __importStar = + (this && this.__importStar) || + function (mod) { + if (mod && mod.__esModule) return mod; + var result = {}; + if (mod != null) + for (var k in mod) + if (k !== "default" && Object.prototype.hasOwnProperty.call(mod, k)) + __createBinding(result, mod, k); + __setModuleDefault(result, mod); + return result; + }; +var __importDefault = + (this && this.__importDefault) || + function (mod) { + return mod && mod.__esModule ? mod : { default: mod }; + }; +Object.defineProperty(exports, "__esModule", { value: true }); +const cmd_ts_1 = require("cmd-ts"); +const fs = __importStar(require("fs")); +const js_yaml_1 = __importDefault(require("js-yaml")); +const path = __importStar(require("path")); +const process = __importStar(require("process")); +const base_1 = require("./base"); +function readEntityConfig(entityConfig) { + const fileContent = fs.readFileSync(path.resolve(entityConfig), { encoding: "utf-8" }); + return js_yaml_1.default.load(fileContent); +} +function main(entityConfigPath, destination) { + const entityDir = path.dirname(entityConfigPath); + let saveDir = path.dirname(entityConfigPath); + if (destination && fs.existsSync(destination)) { + saveDir = destination; + } + const categoriesRoot = path.join(saveDir, "by_category"); + const cfg = readEntityConfig(entityConfigPath); + const std = new base_1.Standata(cfg); + // eslint-disable-next-line no-restricted-syntax + for (const entity of std.entities) { + const categories = std.convertTagToCategory(...entity.categories); + const entityPath = path.join(entityDir, entity.filename); + // eslint-disable-next-line no-restricted-syntax + for (const category of categories) { + const categoryDir = path.join(categoriesRoot, category); + if (!fs.existsSync(categoryDir)) { + fs.mkdirSync(categoryDir, { recursive: true }); + } + const linkedEntityPath = path.join(categoryDir, entity.filename); + if (!fs.existsSync(linkedEntityPath)) { + fs.symlinkSync(entityPath, linkedEntityPath); + } + } + } +} +const app = (0, cmd_ts_1.command)({ + name: "standata-create-symlinks", + description: "Sort entity files by category (as symlinks).", + args: { + entityConfigPath: (0, cmd_ts_1.positional)({ + type: cmd_ts_1.string, + displayName: "CONFIG", + description: "The entity config file (usually 'categories.yml')", + }), + destination: (0, cmd_ts_1.option)({ + type: (0, cmd_ts_1.optional)(cmd_ts_1.string), + long: "destination", + short: "d", + description: "Where to place symlink directory.", + }), + }, + handler: ({ entityConfigPath, destination }) => main(entityConfigPath, destination), +}); +(0, cmd_ts_1.run)(app, process.argv.slice(2)); diff --git a/dist/js/index.d.ts b/dist/js/index.d.ts new file mode 100644 index 0000000..cc99e8f --- /dev/null +++ b/dist/js/index.d.ts @@ -0,0 +1,5 @@ +export { Standata } from "./base"; +export { MaterialStandata } from "./material"; +export { ApplicationStandata } from "./application"; +export { PropertyStandata } from "./property"; +export { WorkflowStandata } from "./workflow"; diff --git a/dist/js/index.js b/dist/js/index.js new file mode 100644 index 0000000..91f5099 --- /dev/null +++ b/dist/js/index.js @@ -0,0 +1,43 @@ +"use strict"; +Object.defineProperty(exports, "__esModule", { value: true }); +exports.WorkflowStandata = + exports.PropertyStandata = + exports.ApplicationStandata = + exports.MaterialStandata = + exports.Standata = + void 0; +var base_1 = require("./base"); +Object.defineProperty(exports, "Standata", { + enumerable: true, + get: function () { + return base_1.Standata; + }, +}); +var material_1 = require("./material"); +Object.defineProperty(exports, "MaterialStandata", { + enumerable: true, + get: function () { + return material_1.MaterialStandata; + }, +}); +var application_1 = require("./application"); +Object.defineProperty(exports, "ApplicationStandata", { + enumerable: true, + get: function () { + return application_1.ApplicationStandata; + }, +}); +var property_1 = require("./property"); +Object.defineProperty(exports, "PropertyStandata", { + enumerable: true, + get: function () { + return property_1.PropertyStandata; + }, +}); +var workflow_1 = require("./workflow"); +Object.defineProperty(exports, "WorkflowStandata", { + enumerable: true, + get: function () { + return workflow_1.WorkflowStandata; + }, +}); diff --git a/dist/js/material.d.ts b/dist/js/material.d.ts new file mode 100644 index 0000000..f9a5201 --- /dev/null +++ b/dist/js/material.d.ts @@ -0,0 +1,1247 @@ +import { Standata } from "./base"; +export declare class MaterialStandata extends Standata { + static runtimeData: { + standataConfig: { + categories: { + type: string[]; + form_factor: string[]; + dimensionality: string[]; + electrical_conductivity: string[]; + magnetism: string[]; + superconductivity: string[]; + composition: string[]; + }; + entities: { + filename: string; + categories: string[]; + }[]; + }; + filesMapByName: { + "C-[Graphene]-HEX_[P6%2Fmmm]_2D_[Monolayer]-[2dm-3993].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "C-[Graphite]-HEX_[P6_3%2Fmmc]_3D_[Bulk]-[mp-48].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "BN-[Hexagonal_Boron_Nitride]-HEX_[P6%2Fmmm]_2D_[Monolayer]-[2dm-4991].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "BN-[Boron_Nitride]-HEX_[P6_3%2Fmmc]_3D_[Bulk]-[mp-7991].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: null; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "NaCl-[Sodium_Chloride]-FCC_[Fm-3m]_3D_[Bulk]-[mp-22862].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "Si-[Silicon]-FCC_[Fd-3m]_3D_[Bulk]-[mp-149].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "Si-[Silicene]-HEX_[P-3m1]_2D_[Monolayer]-[2dm-5934].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "WS2-[Tungsten_Disulfide]-HEX_[P6_3%2Fmmc]_3D_[Bulk]-[mp-224].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "WS2-[Tungsten_Disulfide]-HEX_[P-6m2]_2D_[Monolayer]-[2dm-3749].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "Ni-[Nickel]-FCC_[Fm-3m]_3D_[Bulk]-[mp-23].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "Cu-[Copper]-FCC_[Fm-3m]_3D_[Bulk]-[mp-30].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "Au-[Gold]-FCC_[Fm-3m]_3D_[Bulk]-[mp-81].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "ZnO-[Zinc_Oxide]-HEX_[P6_3mc]_3D_[Bulk]-[mp-2133].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "Al2O3-[Sapphire]-RHL_[R-3c]_3D_[Bulk]-[mp-1143].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "SiO2-[Quartz]-HEX_[P3_121]_3D_[Bulk]-[mp-7000].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "ZrO2-[Zirconium_Dioxide]-MCL_[P2_1%2Fc]_3D_[Bulk]-[mp-2858].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "HfO2-[Hafnium_IV_Oxide]-MCL_[P2_1%2Fc]_3D_[Bulk]-[mp-352].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "Y2O3-[Yttrium_III_Oxide]-MCLC_[C2%2Fm]_3D_[Bulk]-[mp-558573].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "VO2-[Vanadium_IV_Oxide]-TET_[P4_2%2Fmnm]_3D_[Bulk]-[mp-19094].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: null; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "TiO2-[Titanium_Oxide]-TET_[P4_2%2Fmnm]_3D_[Bulk]-[mp-2657].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: null; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "MoS2-[Molybdenum_Disulfide]-HEX_[P_3%2Fmmc]_3D_[Bulk]-[mp-2815].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "MoS2-[Molybdenum_Disulfide]-HEX_[P-6m2]_2D_[Monolayer]-[2dm-3150].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "Te2Mo-[Molybdenum_Telluride]-HEX_[P6_3%2Fmmc]_3D_[Bulk]-[mp-602].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: null; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "Te2Mo-[Molybdenum_Telluride]-HEX_[P-6m2]_2D_[Monolayer]-[2dm-5370].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "WSe2-[Tungsten_Diselenide]-HEX_[P6_3%2Fmmc]_3D_[Bulk]-[mp-1821].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "WSe2-[Tungsten_Diselenide]-HEX_[P-6m2]_2D_[Monolayer]-[2dm-3594].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "GaN-[Gallium_Nitride]-HEX_[P6_3mc]_3D_[Bulk]-[mp-804].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "GaAs-[Gallium_Arsenide]-FCC_[F-43m]_3D_[Bulk]-[mp-2534].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "AlN-[Aluminum_Nitride]-HEX_[P6_3mc]_3D_[Bulk]-[mp-661].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + 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name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "SiO2-[Cristobalite]-TET_[I-42d]_3D_[Bulk]-[mp-546794].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + "Si-[Silicon_(100)_surface_(reconstructed)]-TRI_[P1]_2D_[Surface]-[mavrl-si-100-r].json": { + name: string; + lattice: { + type: string; + a: number; + b: number; + c: number; + alpha: number; + beta: number; + gamma: number; + units: { + length: string; + angle: string; + }; + }; + basis: { + units: string; + elements: { + id: number; + value: string; + }[]; + coordinates: { + id: number; + value: number[]; + }[]; + }; + external: { + id: string; + source: string; + doi: string; + url: string; + origin: boolean; + }; + isNonPeriodic: boolean; + }; + }; + }; +} diff --git a/dist/js/material.js b/dist/js/material.js new file mode 100644 index 0000000..3c6fa70 --- /dev/null +++ b/dist/js/material.js @@ -0,0 +1,13 @@ +"use strict"; +var __importDefault = + (this && this.__importDefault) || + function (mod) { + return mod && mod.__esModule ? mod : { default: mod }; + }; +Object.defineProperty(exports, "__esModule", { value: true }); +exports.MaterialStandata = void 0; +const base_1 = require("./base"); +const materials_json_1 = __importDefault(require("./runtime_data/materials.json")); +class MaterialStandata extends base_1.Standata {} +exports.MaterialStandata = MaterialStandata; +MaterialStandata.runtimeData = materials_json_1.default; diff --git a/dist/js/property.d.ts b/dist/js/property.d.ts new file mode 100644 index 0000000..7bbe994 --- /dev/null +++ b/dist/js/property.d.ts @@ -0,0 +1,39 @@ +import { Standata } from "./base"; +export declare class PropertyStandata extends Standata { + static runtimeData: { + standataConfig: { + categories: { + type: string[]; + property_class: string[]; + value_type: string[]; + measurement: string[]; + application: string[]; + }; + entities: { + filename: string; + categories: string[]; + }[]; + }; + filesMapByName: { + "valence_band_offset.json": { + name: string; + units: string; + value: number; + }; + "band_structure.json": { + name: string; + spin: number[]; + xAxis: { + label: string; + units: string; + }; + xDataArray: number[][]; + yAxis: { + label: string; + units: string; + }; + yDataSeries: number[][]; + }; + }; + }; +} diff --git a/dist/js/property.js b/dist/js/property.js new file mode 100644 index 0000000..a829e40 --- /dev/null +++ b/dist/js/property.js @@ -0,0 +1,13 @@ +"use strict"; +var __importDefault = + (this && this.__importDefault) || + function (mod) { + return mod && mod.__esModule ? mod : { default: mod }; + }; +Object.defineProperty(exports, "__esModule", { value: true }); +exports.PropertyStandata = void 0; +const base_1 = require("./base"); +const properties_json_1 = __importDefault(require("./runtime_data/properties.json")); +class PropertyStandata extends base_1.Standata {} +exports.PropertyStandata = PropertyStandata; +PropertyStandata.runtimeData = properties_json_1.default; diff --git a/dist/js/runtime_data/applications.json b/dist/js/runtime_data/applications.json new file mode 100644 index 0000000..bcc53ed --- /dev/null +++ b/dist/js/runtime_data/applications.json @@ -0,0 +1 @@ +{"standataConfig":{"categories":{"model":["atomistic","macroscopic","mesoscopic","quantum-mechanical","statistical"],"language_type":["scripting","compiled"],"purpose":["command_line_interface","interactive_computing_environment","programming_language"]},"entities":[{"filename":"espresso_gnu_540.json","categories":["quantum-mechanical"]},{"filename":"python_386.json","categories":["scripting","programming_language"]}]},"filesMapByName":{"espresso_gnu_540.json":{"name":"espresso","shortName":"qe","summary":"Quantum Espresso","version":"5.4.0","build":"GNU","hasAdvancedComputeOptions":true,"isLicensed":false},"python_386.json":{"name":"python","shortName":"py","summary":"Python Script","version":"3.8.6","build":"Default","hasAdvancedComputeOptions":false,"isLicensed":false}}} diff --git a/dist/js/runtime_data/materials.json b/dist/js/runtime_data/materials.json new file mode 100644 index 0000000..0ea25c6 --- /dev/null +++ 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= 0\nSIGMA = 0.05\nISTART = 1\nICHARG = 11","name":"INCAR","contextProviders":[{"name":"VASPInputDataManager"}],"applicationName":"vasp","executableName":"vasp","updatedAt":"2023-08-17T23:02:18.622Z","updatedBy":"0","rendered":"ISMEAR = 0\nSIGMA = 0.05\nISTART = 1\nICHARG = 11"},{"content":"Automatic mesh\n0\nGamma\n {% for d in kgrid.dimensions %}{{d}} {% endfor %}\n {% for s in kgrid.shifts %}{{s}} {% endfor %}","name":"KPOINTS","contextProviders":[{"name":"KGridFormDataManager"},{"name":"VASPInputDataManager"}],"applicationName":"vasp","executableName":"vasp","updatedAt":"2023-08-17T23:02:18.670Z","updatedBy":"0","rendered":"Automatic mesh\n0\nGamma\n 2 2 2 \n 0 0 0 "},{"content":"{{ input.POSCAR }}","name":"POSCAR","contextProviders":[{"name":"VASPInputDataManager"}],"applicationName":"vasp","executableName":"vasp","updatedAt":"2023-08-17T23:02:18.693Z","updatedBy":"0","rendered":"Silicon FCC\n1.0\n 3.348920000\t 0.000000000\t 1.933500000\n 1.116307000\t 3.157392000\t 1.933500000\n 0.000000000\t 0.000000000\t 3.867000000\nSi\n2\ndirect\n 0.000000000 0.000000000 0.000000000 Si\n 0.250000000 0.250000000 0.250000000 Si"}]}],"compute":null,"isDraft":false}],"units":[{"name":"Band Gap","type":"subworkflow","_id":"000000000000000000000000","flowchartId":"509bb16a21dfb6806cbf4022","status":"idle","statusTrack":[],"results":[],"monitors":[],"preProcessors":[],"postProcessors":[],"head":true,"schemaVersion":"2022.8.16","isDefault":false}],"properties":["total_energy","total_energy_contributions","pressure","fermi_energy","atomic_forces","total_force","stress_tensor","band_gaps","fermi_energy"],"hash":"9a0499d15894c106d6115c132f67b47c","isOutdated":false,"workflows":[],"schemaVersion":"2022.8.16","tags":[],"owner":{"_id":"00000000000000000","slug":"user-000000","cls":"Account"},"creator":{"_id":"00000000000000000","slug":"user-000000","cls":"User"},"compute":null,"exabyteId":"00000000000000000","isDefault":false,"isEntitySet":false,"createdAt":"2023-08-23T02:56:18.620Z","createdBy":"00000000000000000","updatedAt":"2023-08-23T02:56:18.894Z","updatedBy":"00000000000000000"}}} diff --git a/dist/js/workflow.d.ts b/dist/js/workflow.d.ts new file mode 100644 index 0000000..dedf47c --- /dev/null +++ b/dist/js/workflow.d.ts @@ -0,0 +1,366 @@ +import { Standata } from "./base"; +export declare class WorkflowStandata extends Standata { + static runtimeData: { + standataConfig: { + categories: { + application: string[]; + property: string[]; + material_count: string[]; + }; + entities: { + filename: string; + categories: string[]; + }[]; + }; + filesMapByName: { + "total_energy.json": { + _id: string; + name: string; + subworkflows: { + _id: string; + name: string; + application: { + _id: string; + name: string; + version: string; + build: string; + isDefault: boolean; + summary: string; + updatedAt: string; + shortName: string; + hasAdvancedComputeOptions: boolean; + updatedBy: string; + }; + properties: string[]; + model: { + type: string; + subtype: string; + method: { + type: string; + subtype: string; + data: {}; + }; + functional: { + slug: string; + }; + }; + units: { + type: string; + name: string; + head: boolean; + results: { + name: string; + }[]; + monitors: { + name: string; + }[]; + flowchartId: string; + preProcessors: never[]; + postProcessors: never[]; + application: { + _id: string; + name: string; + version: string; + build: string; + isDefault: boolean; + summary: string; + updatedAt: string; + shortName: string; + hasAdvancedComputeOptions: boolean; + updatedBy: string; + }; + executable: { + isDefault: boolean; + hasAdvancedComputeOptions: boolean; + postProcessors: string[]; + monitors: string[]; + results: string[]; + name: string; + }; + flavor: { + isDefault: boolean; + input: { + name: string; + }[]; + results: string[]; + monitors: string[]; + applicationName: string; + executableName: string; + name: string; + executable: { + isDefault: boolean; + hasAdvancedComputeOptions: boolean; + postProcessors: string[]; + monitors: string[]; + results: string[]; + name: string; + }; + }; + status: string; + statusTrack: never[]; + input: { + content: string; + name: string; + contextProviders: { + name: string; + }[]; + applicationName: string; + executableName: string; + updatedAt: string; + updatedBy: string; + rendered: string; + }[]; + }[]; + compute: null; + isDraft: boolean; + }[]; + units: { + name: string; + type: string; + _id: string; + flowchartId: string; + status: string; + statusTrack: never[]; + results: never[]; + monitors: never[]; + preProcessors: never[]; + postProcessors: never[]; + head: boolean; + schemaVersion: string; + isDefault: boolean; + }[]; + properties: string[]; + isDefault: boolean; + hash: string; + isOutdated: boolean; + createdAt: string; + updatedAt: string; + workflows: never[]; + schemaVersion: string; + tags: never[]; + owner: { + _id: string; + slug: string; + cls: string; + }; + creator: { + _id: string; + slug: string; + cls: string; + }; + compute: null; + exabyteId: string; + isEntitySet: boolean; + }; + "band_gap.json": { + _id: string; + name: string; + subworkflows: { + _id: string; + name: string; + application: { + _id: string; + name: string; + version: string; + build: string; + isDefault: boolean; + summary: string; + updatedAt: string; + shortName: string; + isLicensed: boolean; + updatedBy: string; + }; + properties: string[]; + model: { + type: string; + subtype: string; + method: { + type: string; + subtype: string; + data: {}; + }; + functional: { + slug: string; + }; + }; + units: ( + | { + type: string; + name: string; + head: boolean; + results: { + name: string; + }[]; + monitors: { + name: string; + }[]; + flowchartId: string; + preProcessors: never[]; + postProcessors: never[]; + application: { + _id: string; + name: string; + version: string; + build: string; + isDefault: boolean; + summary: string; + updatedAt: string; + shortName: string; + isLicensed: boolean; + updatedBy: string; + }; + executable: { + isDefault: boolean; + postProcessors: string[]; + monitors: string[]; + results: string[]; + name: string; + }; + flavor: { + isDefault: boolean; + input: { + name: string; + }[]; + results: string[]; + monitors: string[]; + applicationName: string; + executableName: string; + name: string; + executable: { + isDefault: boolean; + postProcessors: string[]; + monitors: string[]; + results: string[]; + name: string; + }; + }; + status: string; + statusTrack: never[]; + input: { + content: string; + name: string; + contextProviders: { + name: string; + }[]; + applicationName: string; + executableName: string; + updatedAt: string; + updatedBy: string; + rendered: string; + }[]; + next: string; + } + | { + type: string; + name: string; + head: boolean; + results: { + name: string; + }[]; + monitors: { + name: string; + }[]; + flowchartId: string; + preProcessors: never[]; + postProcessors: never[]; + application: { + _id: string; + name: string; + version: string; + build: string; + isDefault: boolean; + summary: string; + updatedAt: string; + shortName: string; + isLicensed: boolean; + updatedBy: string; + }; + executable: { + isDefault: boolean; + postProcessors: string[]; + monitors: string[]; + results: string[]; + name: string; + }; + flavor: { + input: { + name: string; + templateName: string; + }[]; + results: string[]; + monitors: string[]; + applicationName: string; + executableName: string; + name: string; + executable: { + isDefault: boolean; + postProcessors: string[]; + monitors: string[]; + results: string[]; + name: string; + }; + isDefault?: undefined; + }; + status: string; + statusTrack: never[]; + input: { + content: string; + name: string; + contextProviders: { + name: string; + }[]; + applicationName: string; + executableName: string; + updatedAt: string; + updatedBy: string; + rendered: string; + }[]; + next?: undefined; + } + )[]; + compute: null; + isDraft: boolean; + }[]; + units: { + name: string; + type: string; + _id: string; + flowchartId: string; + status: string; + statusTrack: never[]; + results: never[]; + monitors: never[]; + preProcessors: never[]; + postProcessors: never[]; + head: boolean; + schemaVersion: string; + isDefault: boolean; + }[]; + properties: string[]; + hash: string; + isOutdated: boolean; + workflows: never[]; + schemaVersion: string; + tags: never[]; + owner: { + _id: string; + slug: string; + cls: string; + }; + creator: { + _id: string; + slug: string; + cls: string; + }; + compute: null; + exabyteId: string; + isDefault: boolean; + isEntitySet: boolean; + createdAt: string; + createdBy: string; + updatedAt: string; + updatedBy: string; + }; + }; + }; +} diff --git a/dist/js/workflow.js b/dist/js/workflow.js new file mode 100644 index 0000000..1dc64f5 --- /dev/null +++ b/dist/js/workflow.js @@ -0,0 +1,13 @@ +"use strict"; +var __importDefault = + (this && this.__importDefault) || + function (mod) { + return mod && mod.__esModule ? mod : { default: mod }; + }; +Object.defineProperty(exports, "__esModule", { value: true }); +exports.WorkflowStandata = void 0; +const base_1 = require("./base"); +const workflows_json_1 = __importDefault(require("./runtime_data/workflows.json")); +class WorkflowStandata extends base_1.Standata {} +exports.WorkflowStandata = WorkflowStandata; +WorkflowStandata.runtimeData = workflows_json_1.default; From 04f9c72aa63e725e02829fe6b22cd77c4c87057d Mon Sep 17 00:00:00 2001 From: VsevolodX <79542055+VsevolodX@users.noreply.github.com> Date: Thu, 19 Dec 2024 12:51:05 -0800 Subject: [PATCH 05/10] chore: add package-lock.json --- package-lock.json | 35 +++++++++++++++++++++++++++++++---- 1 file changed, 31 insertions(+), 4 deletions(-) diff --git a/package-lock.json b/package-lock.json index 9a5e89e..5af0bac 100644 --- a/package-lock.json +++ b/package-lock.json @@ -4382,9 +4382,9 @@ } }, "node_modules/eslint-config-airbnb": { - "version": "19.0.4", - "resolved": "https://registry.npmjs.org/eslint-config-airbnb/-/eslint-config-airbnb-19.0.4.tgz", - "integrity": "sha512-T75QYQVQX57jiNgpF9r1KegMICE94VYwoFQyMGhrvc+lB8YF2E/M/PYDaQe1AJcWaEgqLE+ErXV1Og/+6Vyzew==", + "version": "19.0.2", + "resolved": "https://registry.npmjs.org/eslint-config-airbnb/-/eslint-config-airbnb-19.0.2.tgz", + "integrity": "sha512-4v5DEMVSl043LaCT+gsxPcoiIk0iYG5zxJKKjIy80H/D//2E0vtuOBWkb0CBDxjF+y26yQzspIXYuY6wMmt9Cw==", "dev": true, "dependencies": { "eslint-config-airbnb-base": "^15.0.0", @@ -4398,7 +4398,7 @@ "eslint": "^7.32.0 || ^8.2.0", "eslint-plugin-import": "^2.25.3", "eslint-plugin-jsx-a11y": "^6.5.1", - "eslint-plugin-react": "^7.28.0", + "eslint-plugin-react": "^7.27.1", "eslint-plugin-react-hooks": "^4.3.0" } }, @@ -4455,6 +4455,20 @@ "eslint-plugin-import": "*" } }, + "node_modules/eslint-import-resolver-meteor": { + "version": "0.4.0", + "resolved": "https://registry.npmjs.org/eslint-import-resolver-meteor/-/eslint-import-resolver-meteor-0.4.0.tgz", + "integrity": "sha512-BSqvgt6QZvk9EGhDGnM4azgbxyBD8b0y6FYA52WFzpWpHcZV9ys8PxM33bx8dlCy3HyopRLLsMUnlhTpZzsZmQ==", + "dev": true, + "peer": true, + "dependencies": { + "object-assign": "^4.0.1", + "resolve": "^1.1.6" + }, + "peerDependencies": { + "eslint-plugin-import": ">=1.4.0" + } + }, "node_modules/eslint-import-resolver-node": { "version": "0.3.9", "resolved": "https://registry.npmjs.org/eslint-import-resolver-node/-/eslint-import-resolver-node-0.3.9.tgz", @@ -4719,6 +4733,19 @@ "eslint": "^3 || ^4 || ^5 || ^6 || ^7 || ^8" } }, + "node_modules/eslint-plugin-react-hooks": { + "version": "4.6.2", + "resolved": "https://registry.npmjs.org/eslint-plugin-react-hooks/-/eslint-plugin-react-hooks-4.6.2.tgz", + "integrity": "sha512-QzliNJq4GinDBcD8gPB5v0wh6g8q3SUi6EFF0x8N/BL9PoVs0atuGc47ozMRyOWAKdwaZ5OnbOEa3WR+dSGKuQ==", + "dev": true, + "peer": true, + "engines": { + "node": ">=10" + }, + "peerDependencies": { + "eslint": "^3.0.0 || ^4.0.0 || ^5.0.0 || ^6.0.0 || ^7.0.0 || ^8.0.0-0" + } + }, "node_modules/eslint-plugin-react/node_modules/doctrine": { "version": "2.1.0", "resolved": "https://registry.npmjs.org/doctrine/-/doctrine-2.1.0.tgz", From a46e474c543599dbf58c85a0dd98fefe3ed84123 Mon Sep 17 00:00:00 2001 From: VsevolodX <79542055+VsevolodX@users.noreply.github.com> Date: Thu, 19 Dec 2024 12:54:19 -0800 Subject: [PATCH 06/10] chore: delete erroneous --- ...3-[Yttrium_III_Oxide]-MCL_[C2%2Fm]_3D_[Bulk]-[mp-558573].json | 1 - 1 file changed, 1 deletion(-) delete mode 100644 materials/Y2O3-[Yttrium_III_Oxide]-MCL_[C2%2Fm]_3D_[Bulk]-[mp-558573].json diff --git a/materials/Y2O3-[Yttrium_III_Oxide]-MCL_[C2%2Fm]_3D_[Bulk]-[mp-558573].json b/materials/Y2O3-[Yttrium_III_Oxide]-MCL_[C2%2Fm]_3D_[Bulk]-[mp-558573].json deleted file mode 100644 index 35a695d..0000000 --- a/materials/Y2O3-[Yttrium_III_Oxide]-MCL_[C2%2Fm]_3D_[Bulk]-[mp-558573].json +++ /dev/null @@ -1 +0,0 @@ -{"name": "Y2O3, Yttrium III Oxide, MCL (C2/m) 3D (Bulk), mp-558573", "lattice": {"type": "MCLC", "a": 3.515998, "b": 7.276946937897307, "c": 8.695337, "alpha": 100.10070090142358, "beta": 90.0, "gamma": 103.9800972914094, "units": {"length": "angstrom", "angle": "degree"}}, "basis": {"units": "crystal", "elements": [{"id": 1, "value": "Y"}, {"id": 2, "value": "Y"}, {"id": 3, "value": "Y"}, {"id": 4, "value": "Y"}, {"id": 5, "value": "Y"}, {"id": 6, "value": "Y"}, {"id": 7, "value": "O"}, {"id": 8, "value": "O"}, {"id": 9, "value": "O"}, {"id": 10, "value": "O"}, {"id": 11, "value": "O"}, {"id": 12, "value": "O"}, {"id": 13, "value": "O"}, {"id": 14, "value": "O"}, {"id": 15, "value": "O"}], "coordinates": [{"id": 1, "value": [0.635175, 0.27035, 0.488039]}, {"id": 2, "value": [0.364825, 0.72965, 0.511961]}, {"id": 3, "value": [0.032014, 0.064029, 0.814048]}, {"id": 4, "value": [0.691364, 0.382729, 0.137328]}, {"id": 5, "value": [0.308636, 0.617271, 0.862672]}, {"id": 6, "value": [0.967986, 0.935971, 0.185952]}, {"id": 7, "value": [0.127996, 0.255992, 0.281772]}, {"id": 8, "value": [0.825532, 0.651064, 0.030517]}, {"id": 9, "value": [0.793308, 0.586615, 0.37737]}, {"id": 10, "value": [0.470963, 0.941926, 0.342856]}, {"id": 11, "value": [0.529037, 0.058074, 0.657144]}, {"id": 12, "value": [0.5, 0.0, 0.0]}, {"id": 13, "value": [0.174468, 0.348936, 0.969483]}, {"id": 14, "value": [0.206692, 0.413385, 0.62263]}, {"id": 15, "value": [0.872004, 0.744008, 0.718228]}]}, "external": {"id": "mp-558573", "source": "Materials Project", "doi": "10.17188/1272685", "url": "https://next-gen.materialsproject.org/materials/mp-558573", "origin": true}, "isNonPeriodic": false} \ No newline at end of file From a3ae5b8c9b14e5d57adf203c9ee703c113cc365a Mon Sep 17 00:00:00 2001 From: VsevolodX <79542055+VsevolodX@users.noreply.github.com> Date: Thu, 19 Dec 2024 13:04:30 -0800 Subject: [PATCH 07/10] try: 1 --- .pre-commit-config.yaml | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 8a16675..07e544a 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -16,18 +16,18 @@ repos: pass_filenames: false verbose: true files: ^materials|applications|workflows|properties/ - - repo: https://github.com/Exabyte-io/pre-commit-hooks - rev: 2023.8.18 - hooks: - # TB temporary disable to avoid firing for autogenerated files - # TODO: figure out how to ignore the files properly and re-enable - # - id: ruff - # - id: black - - id: isort - - id: mypy - - id: check-yaml - - id: end-of-file-fixer - - id: trailing-whitespace +# - repo: https://github.com/Exabyte-io/pre-commit-hooks +# rev: 2023.8.18 +# hooks: +# # TB temporary disable to avoid firing for autogenerated files +# # TODO: figure out how to ignore the files properly and re-enable +# # - id: ruff +# # - id: black +# - id: isort +# - id: mypy +# - id: check-yaml +# - id: end-of-file-fixer +# - id: trailing-whitespace - repo: local hooks: - id: lint-staged From 99a58e9e7ece2d67d4ad62041d93098f5829a41d Mon Sep 17 00:00:00 2001 From: VsevolodX <79542055+VsevolodX@users.noreply.github.com> Date: Thu, 19 Dec 2024 13:04:53 -0800 Subject: [PATCH 08/10] try: 2 --- .pre-commit-config.yaml | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 07e544a..8a16675 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -16,18 +16,18 @@ repos: pass_filenames: false verbose: true files: ^materials|applications|workflows|properties/ -# - repo: https://github.com/Exabyte-io/pre-commit-hooks -# rev: 2023.8.18 -# hooks: -# # TB temporary disable to avoid firing for autogenerated files -# # TODO: figure out how to ignore the files properly and re-enable -# # - id: ruff -# # - id: black -# - id: isort -# - id: mypy -# - id: check-yaml -# - id: end-of-file-fixer -# - id: trailing-whitespace + - repo: https://github.com/Exabyte-io/pre-commit-hooks + rev: 2023.8.18 + hooks: + # TB temporary disable to avoid firing for autogenerated files + # TODO: figure out how to ignore the files properly and re-enable + # - id: ruff + # - id: black + - id: isort + - id: mypy + - id: check-yaml + - id: end-of-file-fixer + - id: trailing-whitespace - repo: local hooks: - id: lint-staged From 53dd7366bbe0c3273158743b7813671fa9892488 Mon Sep 17 00:00:00 2001 From: VsevolodX <79542055+VsevolodX@users.noreply.github.com> Date: Thu, 19 Dec 2024 13:14:25 -0800 Subject: [PATCH 09/10] update: exculde dist from lint stages --- package.json | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/package.json b/package.json index 7fe418f..b7aef61 100644 --- a/package.json +++ b/package.json @@ -69,6 +69,7 @@ }, "lint-staged": { "*.{js,ts,tsx}": "eslint --cache --fix", - "*.{js,ts,tsx,css}": "prettier --write" + "*.{js,ts,tsx,css}": "prettier --write", + "!dist/**/*": [] } } From b07446148b3c4355d2298cd14165a325341edfa3 Mon Sep 17 00:00:00 2001 From: VsevolodX <79542055+VsevolodX@users.noreply.github.com> Date: Thu, 19 Dec 2024 13:30:24 -0800 Subject: [PATCH 10/10] chore: exclude runtime data --- package.json | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/package.json b/package.json index b7aef61..4dad116 100644 --- a/package.json +++ b/package.json @@ -69,7 +69,6 @@ }, "lint-staged": { "*.{js,ts,tsx}": "eslint --cache --fix", - "*.{js,ts,tsx,css}": "prettier --write", - "!dist/**/*": [] + "*.{js,ts,tsx,css,!dist/**/*,!*runtime_data*}": "prettier --write" } }