From ad6b830a95ca18a5d787a570159218ea0a37835a Mon Sep 17 00:00:00 2001 From: Lauri Himanen <lauri.himanen@gmail.com> Date: Thu, 7 Nov 2024 09:30:33 +0000 Subject: [PATCH] Moved default apps from ui.apps to plugins.entry_points, created a default app... --- docs/howto/plugins/normalizers.md | 2 +- docs/howto/plugins/parsers.md | 2 +- docs/howto/plugins/schema_packages.md | 2 +- gui/src/components/UserdataPage.js | 4 +- gui/src/components/UserdataPage.spec.js | 7 +- gui/src/components/dataset/DatasetPage.js | 4 +- .../editQuantity/QueryEditQuantity.js | 4 +- .../entry/properties/SampleHistoryCard.js | 4 +- gui/src/components/nav/MenuBar.js | 1 + gui/src/components/nav/Routes.js | 44 +- gui/src/components/search/Query.spec.js | 19 +- gui/src/components/search/SearchBar.spec.js | 76 +- gui/src/components/search/SearchPage.spec.js | 25 +- gui/src/components/search/conftest.spec.js | 2 +- .../search/input/InputMetainfo.spec.js | 22 +- .../components/uploads/SectionSelectDialog.js | 5 +- gui/src/defaultApp.js | 1975 +++ gui/src/utils.js | 3 +- gui/tests/env.js | 11682 ++++++++-------- nomad/config/defaults.yaml | 1077 +- nomad/config/models/ui.py | 6 +- nomad/mkdocs.py | 40 +- 22 files changed, 8467 insertions(+), 6539 deletions(-) create mode 100644 gui/src/defaultApp.js diff --git a/docs/howto/plugins/normalizers.md b/docs/howto/plugins/normalizers.md index 43c897bafd..a1ca298b3c 100644 --- a/docs/howto/plugins/normalizers.md +++ b/docs/howto/plugins/normalizers.md @@ -45,7 +45,7 @@ mynormalizer = MyNormalizerEntryPoint( ) ``` -Here you can see that a new subclass of `NormalizerEntryPoint` was defined. In this new class you can override the `load` method to determine how the `Normalizer` class is instantiated, but you can also extend the `NormalizerEntryPoint` model to add new configurable parameters for this normalizer as explained [here](./plugins.md#extending-and-using-the-entry-point). +Here you can see that a new subclass of `NormalizerEntryPoint` was defined. In this new class you can override the `load` method to determine how the `Normalizer` class is instantiated, but you can also extend the `NormalizerEntryPoint` model to add new configurable parameters for this normalizer as explained [here](./plugins.md#plugin-configuration). We also instantiate an object `mynormalizer` from the new subclass. This is the final entry point instance in which you specify the default parameterization and other details about the normalizer. In the reference you can see all of the available [configuration options for a `NormalizerEntryPoint`](../../reference/plugins.md#normalizerentrypoint). diff --git a/docs/howto/plugins/parsers.md b/docs/howto/plugins/parsers.md index 7bb3196230..6251e22926 100644 --- a/docs/howto/plugins/parsers.md +++ b/docs/howto/plugins/parsers.md @@ -46,7 +46,7 @@ myparser = MyParserEntryPoint( ) ``` -Here you can see that a new subclass of `ParserEntryPoint` was defined. In this new class you can override the `load` method to determine how the `Parser` class is instantiated, but you can also extend the `ParserEntryPoint` model to add new configurable parameters for this parser as explained [here](./plugins.md#extending-and-using-the-entry-point). +Here you can see that a new subclass of `ParserEntryPoint` was defined. In this new class you can override the `load` method to determine how the `Parser` class is instantiated, but you can also extend the `ParserEntryPoint` model to add new configurable parameters for this parser as explained [here](./plugins.md#plugin-configuration). We also instantiate an object `myparser` from the new subclass. This is the final entry point instance in which you specify the default parameterization and other details about the parser. In the reference you can see all of the available [configuration options for a `ParserEntryPoint`](../../reference/plugins.md#parserentrypoint). diff --git a/docs/howto/plugins/schema_packages.md b/docs/howto/plugins/schema_packages.md index 4eb3fbe6ca..b0377fc5fd 100644 --- a/docs/howto/plugins/schema_packages.md +++ b/docs/howto/plugins/schema_packages.md @@ -45,7 +45,7 @@ mypackage = MySchemaPackageEntryPoint( ) ``` -Here you can see that a new subclass of `SchemaPackageEntryPoint` was defined. In this new class you can override the `load` method to determine how the `SchemaPackage` class is loaded, but you can also extend the `SchemaPackageEntryPoint` model to add new configurable parameters for this schema package as explained [here](./plugins.md#extending-and-using-the-entry-point). +Here you can see that a new subclass of `SchemaPackageEntryPoint` was defined. In this new class you can override the `load` method to determine how the `SchemaPackage` class is loaded, but you can also extend the `SchemaPackageEntryPoint` model to add new configurable parameters for this schema package as explained [here](./plugins.md#plugin-configuration). We also instantiate an object `mypackage` from the new subclass. This is the final entry point instance in which you specify the default parameterization and other details about the schema package. In the reference you can see all of the available [configuration options for a `SchemaPackageEntryPoint`](../../reference/plugins.md#schemapackageentrypoint). diff --git a/gui/src/components/UserdataPage.js b/gui/src/components/UserdataPage.js index 73bc57d998..ed5d783c9a 100644 --- a/gui/src/components/UserdataPage.js +++ b/gui/src/components/UserdataPage.js @@ -16,7 +16,7 @@ * limitations under the License. */ import React from 'react' -import { ui } from '../config' +import { defaultApp } from '../defaultApp' import { cloneDeep } from 'lodash' import { withLoginRequired } from './api' import { SearchContext } from './search/SearchContext' @@ -74,7 +74,7 @@ Once you assigned a DOI to a dataset, no entries can be removed or added to the // Use the same context as in the global entries search, but with free-text // query enabled -const context = cloneDeep(ui?.apps?.options?.entries) +const context = cloneDeep(defaultApp) context.search_syntaxes.exclude = undefined const initialFiltersLocked = { diff --git a/gui/src/components/UserdataPage.spec.js b/gui/src/components/UserdataPage.spec.js index c9e7da93a2..b55a5d03e4 100644 --- a/gui/src/components/UserdataPage.spec.js +++ b/gui/src/components/UserdataPage.spec.js @@ -19,16 +19,15 @@ import React from 'react' import { render, startAPI, closeAPI } from './conftest.spec' import { expectMenu, expectSearchResults } from './search/conftest.spec' -import { ui } from '../config' +import { defaultApp } from '../defaultApp' import UserDatapage from './UserdataPage' import { minutes } from '../setupTests' test('renders user data search page correctly', async () => { - const context = ui.apps.options.entries await startAPI('tests.states.search.search', 'tests/data/search/userdatapage', 'test', 'password') render(<UserDatapage />) - await expectMenu(context.menu) - await expectSearchResults(context.columns) + await expectMenu(defaultApp.menu) + await expectSearchResults(defaultApp.columns) closeAPI() }, 5 * minutes) diff --git a/gui/src/components/dataset/DatasetPage.js b/gui/src/components/dataset/DatasetPage.js index 01f287289e..648bb18e8c 100644 --- a/gui/src/components/dataset/DatasetPage.js +++ b/gui/src/components/dataset/DatasetPage.js @@ -19,7 +19,7 @@ import React, { useContext, useState, useEffect, useMemo } from 'react' import PropTypes from 'prop-types' import { cloneDeep } from 'lodash' import { Typography, makeStyles } from '@material-ui/core' -import { ui } from '../../config' +import { defaultApp } from '../../defaultApp' import { errorContext } from '../errors' import { useApi } from '../api' import SearchPage from '../search/SearchPage' @@ -33,7 +33,7 @@ to explore a dataset with similar controls that the search page offers. // Use the same context as in the global entries search, but with free-text // query enabled -const context = cloneDeep(ui?.apps?.options?.entries) +const context = cloneDeep(defaultApp) context.search_syntaxes.exclude = undefined const useStyles = makeStyles(theme => ({ diff --git a/gui/src/components/editQuantity/QueryEditQuantity.js b/gui/src/components/editQuantity/QueryEditQuantity.js index 31f6b82e3a..b61489be81 100644 --- a/gui/src/components/editQuantity/QueryEditQuantity.js +++ b/gui/src/components/editQuantity/QueryEditQuantity.js @@ -23,7 +23,7 @@ import { Dialog, DialogContent, IconButton, TextField, Tooltip } from "@material-ui/core" import {FreeformSearchContext, useSearchContext} from "../search/SearchContext" -import {ui} from "../../config" +import { defaultApp } from '../../defaultApp' import DialogActions from "@material-ui/core/DialogActions" import Button from "@material-ui/core/Button" import SearchPage from "../search/SearchPage" @@ -35,7 +35,7 @@ import Autocomplete from "@material-ui/lab/Autocomplete" import {ItemButton, useLane} from "../archive/Browser" import ClearIcon from "@material-ui/icons/Clear" -const context = cloneDeep(ui?.apps?.options?.eln) +const context = cloneDeep(defaultApp) const shownColumns = [ 'entry_name', 'entry_type', diff --git a/gui/src/components/entry/properties/SampleHistoryCard.js b/gui/src/components/entry/properties/SampleHistoryCard.js index 0d454f7b0e..fe0c9719f5 100644 --- a/gui/src/components/entry/properties/SampleHistoryCard.js +++ b/gui/src/components/entry/properties/SampleHistoryCard.js @@ -23,9 +23,9 @@ import { PropertyCard } from './PropertyCard' import { SearchContext, useSearchContext } from "../../search/SearchContext" import { SearchResults } from "../../search/SearchResults" import { cloneDeep } from "lodash" -import { ui } from "../../../config" +import { defaultApp } from "../../../defaultApp" -const context = cloneDeep(ui?.apps?.options?.entries) +const context = cloneDeep(defaultApp) const columns = [ {search_quantity: 'entry_name', title: 'Name', align: 'left', selected: true}, {search_quantity: 'entry_type', title: 'Entry type', align: 'left', selected: true}, diff --git a/gui/src/components/nav/MenuBar.js b/gui/src/components/nav/MenuBar.js index 18152f4b0c..ccbf7f1a1e 100644 --- a/gui/src/components/nav/MenuBar.js +++ b/gui/src/components/nav/MenuBar.js @@ -99,6 +99,7 @@ export const MenuBarItem = React.forwardRef(({label, tooltip, route, href}, ref) ref={ref} component={href ? 'a' : 'li'} href={href} + disabled={!(route || href)} dense classes={{root: selected ? classes.selected : undefined}} onClick={handleClick} diff --git a/gui/src/components/nav/Routes.js b/gui/src/components/nav/Routes.js index 85387fd2be..9d55dedb82 100644 --- a/gui/src/components/nav/Routes.js +++ b/gui/src/components/nav/Routes.js @@ -19,6 +19,7 @@ import React from 'react' import PropTypes from 'prop-types' import { Route } from 'react-router' +import { isEmpty } from 'lodash' import { CacheRoute, CacheSwitch } from 'react-router-cache-route' import { matchPath, useLocation, Redirect, useHistory, Link as RouterLink } from 'react-router-dom' import { Button, Link, makeStyles, Tooltip } from '@material-ui/core' @@ -163,40 +164,39 @@ const uploadRoutes = [ } ] -const searchRoutes = apps - .map((context) => { - const routeMap = { - entries: entryRoutes - } +const searchRoutes = isEmpty(apps) + ? [{menu: 'No apps available'}] + : apps.map((app) => { + const routeMap = {entries: entryRoutes} return { - path: context.path, + path: app.path, exact: true, cache: 'always', - menu: context.label, - tooltip: context.description, - breadcrumb: context.breadcrumb || context.label, - category: context.category, + menu: app.label, + tooltip: app.description, + breadcrumb: app.breadcrumb || app.label, + category: app.category, render: (props) => ( <SearchContext - resource={context.resource} - initialPagination={context.pagination} - initialColumns={context.columns} - initialRows={context.rows} - initialMenu={context.menu} - initialSearchQuantities={context?.search_quantities} - initialFiltersLocked={context.filters_locked} - initialDashboard={context?.dashboard} - initialSearchSyntaxes={context?.search_syntaxes} - id={context?.path} + resource={app.resource} + initialPagination={app.pagination} + initialColumns={app.columns} + initialRows={app.rows} + initialMenu={app.menu} + initialSearchQuantities={app?.search_quantities} + initialFiltersLocked={app.filters_locked} + initialDashboard={app?.dashboard} + initialSearchSyntaxes={app?.search_syntaxes} + id={app?.path} > <SearchPage/> </SearchContext> ), help: { title: 'About this page', - content: context.readme || context.description + content: app.readme || app.description }, - routes: routeMap[context.resource] + routes: routeMap[app.resource] } }) diff --git a/gui/src/components/search/Query.spec.js b/gui/src/components/search/Query.spec.js index ebff06aa38..704e24429b 100644 --- a/gui/src/components/search/Query.spec.js +++ b/gui/src/components/search/Query.spec.js @@ -16,7 +16,7 @@ * limitations under the License. */ import React from 'react' -import { ui } from '../../config' +import { defaultApp } from '../../defaultApp' import { render, screen } from '../conftest.spec' import QueryChips from './Query' import { SearchContext } from './SearchContext' @@ -28,18 +28,17 @@ test.each([ ['datetime', 'upload_create_time', 0, 'Upload create time', '01/01/1970'], ['boolean', 'results.properties.electronic.dos_electronic.spin_polarized', 'false', 'Spin-polarized', 'false'] ])('%s', async (name, quantity, input, title, output) => { - const context = ui.apps.options.entries render( <SearchContext - resource={context.resource} - initialPagination={context.pagination} - initialColumns={context.columns} - initialRows={context.rows} - initialMenu={context?.menu} - initialFiltersLocked={context.filters_locked} - initialDashboard={context?.dashboard} + resource={defaultApp.resource} + initialPagination={defaultApp.pagination} + initialColumns={defaultApp.columns} + initialRows={defaultApp.rows} + initialMenu={defaultApp?.menu} + initialFiltersLocked={defaultApp.filters_locked} + initialDashboard={defaultApp?.dashboard} initialFilterValues={{[quantity]: input}} - initialSearchSyntaxes={context?.search_syntaxes} + initialSearchSyntaxes={defaultApp?.search_syntaxes} > <QueryChips/> </SearchContext> diff --git a/gui/src/components/search/SearchBar.spec.js b/gui/src/components/search/SearchBar.spec.js index 2b49c9c78f..40f9432358 100644 --- a/gui/src/components/search/SearchBar.spec.js +++ b/gui/src/components/search/SearchBar.spec.js @@ -16,7 +16,7 @@ * limitations under the License. */ import React from 'react' -import { ui } from '../../config' +import { defaultApp } from '../../defaultApp' import { render, screen, within } from '../conftest.spec' import userEvent from '@testing-library/user-event' import { SearchContext } from './SearchContext' @@ -44,17 +44,16 @@ describe('searchbar queries', function() { ['range, gt-gte', '0 > results.material.n_elements >= 1', 'range'], ['range, gte-gte', '0 >= results.material.n_elements >= 1', 'range'] ])('%s', async (name, input, type) => { - const context = ui.apps.options.entries render( <SearchContext - resource={context.resource} - initialPagination={context.pagination} - initialColumns={context.columns} - initialRows={context.rows} - initialMenu={context?.menu} - initialFiltersLocked={context.filters_locked} - initialDashboard={context?.dashboard} - initialSearchSyntaxes={context?.search_syntaxes} + resource={defaultApp.resource} + initialPagination={defaultApp.pagination} + initialColumns={defaultApp.columns} + initialRows={defaultApp.rows} + initialMenu={defaultApp?.menu} + initialFiltersLocked={defaultApp.filters_locked} + initialDashboard={defaultApp?.dashboard} + initialSearchSyntaxes={defaultApp?.search_syntaxes} > <SearchBar /> </SearchContext> @@ -84,18 +83,17 @@ describe('suggestions: history', function() { window.localStorage.removeItem('nomad-searchcontext-entries') }) test('initial suggestions are shown in correct order upon focus', async () => { - const context = ui.apps.options.entries render( <SearchContext - resource={context.resource} - initialPagination={context.pagination} - initialColumns={context.columns} - initialRows={context.rows} - initialMenu={context?.menu} - initialFiltersLocked={context.filters_locked} - initialDashboard={context?.dashboard} - initialSearchSyntaxes={context?.search_syntaxes} - id={context?.path} + resource={defaultApp.resource} + initialPagination={defaultApp.pagination} + initialColumns={defaultApp.columns} + initialRows={defaultApp.rows} + initialMenu={defaultApp?.menu} + initialFiltersLocked={defaultApp.filters_locked} + initialDashboard={defaultApp?.dashboard} + initialSearchSyntaxes={defaultApp?.search_syntaxes} + id={defaultApp?.path} > <SearchBar /> </SearchContext> @@ -109,18 +107,17 @@ describe('suggestions: history', function() { expect(options[2]).toHaveTextContent('oldest') }) test('options are filtered according to input', async () => { - const context = ui.apps.options.entries render( <SearchContext - resource={context.resource} - initialPagination={context.pagination} - initialColumns={context.columns} - initialRows={context.rows} - initialMenu={context?.menu} - initialFiltersLocked={context.filters_locked} - initialDashboard={context?.dashboard} - initialSearchSyntaxes={context?.search_syntaxes} - id={context?.path} + resource={defaultApp.resource} + initialPagination={defaultApp.pagination} + initialColumns={defaultApp.columns} + initialRows={defaultApp.rows} + initialMenu={defaultApp?.menu} + initialFiltersLocked={defaultApp.filters_locked} + initialDashboard={defaultApp?.dashboard} + initialSearchSyntaxes={defaultApp?.search_syntaxes} + id={defaultApp?.path} > <SearchBar /> </SearchContext> @@ -133,18 +130,17 @@ describe('suggestions: history', function() { expect(options[1]).toHaveTextContent('oldest') }) test('clicking delete icon removes option from list', async () => { - const context = ui.apps.options.entries render( <SearchContext - resource={context.resource} - initialPagination={context.pagination} - initialColumns={context.columns} - initialRows={context.rows} - initialMenu={context?.menu} - initialFiltersLocked={context.filters_locked} - initialDashboard={context?.dashboard} - initialSearchSyntaxes={context?.search_syntaxes} - id={context?.path} + resource={defaultApp.resource} + initialPagination={defaultApp.pagination} + initialColumns={defaultApp.columns} + initialRows={defaultApp.rows} + initialMenu={defaultApp?.menu} + initialFiltersLocked={defaultApp.filters_locked} + initialDashboard={defaultApp?.dashboard} + initialSearchSyntaxes={defaultApp?.search_syntaxes} + id={defaultApp?.path} > <SearchBar /> </SearchContext> diff --git a/gui/src/components/search/SearchPage.spec.js b/gui/src/components/search/SearchPage.spec.js index 94619b2e5e..a6bee9dba4 100644 --- a/gui/src/components/search/SearchPage.spec.js +++ b/gui/src/components/search/SearchPage.spec.js @@ -19,7 +19,7 @@ import React, { useMemo } from 'react' import { render, screen } from '../conftest.spec' import { expectMenu, expectSearchResults } from './conftest.spec' -import { ui } from '../../config' +import { defaultApp } from '../../defaultApp' import { SearchContext } from './SearchContext' import SearchPage from './SearchPage' @@ -53,24 +53,23 @@ jest.mock('./SearchContext', () => ({ describe('', () => { test('render search page components', async () => { - const context = ui.apps.options.entries render( <SearchContext - resource={context.resource} - initialPagination={context.pagination} - initialColumns={context.columns} - initialRows={context.rows} - initialMenu={context.menu} - initialFiltersLocked={context.filters_locked} - initialDashboard={context?.dashboard} - initialSearchSyntaxes={context?.search_syntaxes} - id={context?.path} + resource={defaultApp.resource} + initialPagination={defaultApp.pagination} + initialColumns={defaultApp.columns} + initialRows={defaultApp.rows} + initialMenu={defaultApp.menu} + initialFiltersLocked={defaultApp.filters_locked} + initialDashboard={defaultApp?.dashboard} + initialSearchSyntaxes={defaultApp?.search_syntaxes} + id={defaultApp?.path} > <SearchPage /> </SearchContext> ) // Test that menu is shown - await expectMenu(context.menu) + await expectMenu(defaultApp.menu) // Test that search bar is shown screen.getByPlaceholderText('Type your query or keyword here') @@ -79,6 +78,6 @@ describe('', () => { screen.getByText('Your query will be shown here') // Test that results table is shown - await expectSearchResults(context.columns) + await expectSearchResults(defaultApp.columns) }) }) diff --git a/gui/src/components/search/conftest.spec.js b/gui/src/components/search/conftest.spec.js index 6a700ad967..978c00da59 100644 --- a/gui/src/components/search/conftest.spec.js +++ b/gui/src/components/search/conftest.spec.js @@ -345,7 +345,7 @@ export async function expectSearchResults(columns, root = screen) { .map((column) => { const searchQuantity = column.search_quantity const unit = column.unit || defaultFilterData[searchQuantity]?.unit - const label = column.label || defaultFilterData[searchQuantity]?.label || getDisplayLabel({name: searchQuantity.split('.').slice(-1)[0]}) + const label = column.title || defaultFilterData[searchQuantity]?.label || getDisplayLabel({name: searchQuantity.split('.').slice(-1)[0]}) return unit ? `${label} (${new Unit(unit).label()})` : label diff --git a/gui/src/components/search/input/InputMetainfo.spec.js b/gui/src/components/search/input/InputMetainfo.spec.js index ab1bab88e4..69a64464f7 100644 --- a/gui/src/components/search/input/InputMetainfo.spec.js +++ b/gui/src/components/search/input/InputMetainfo.spec.js @@ -20,11 +20,9 @@ import userEvent from '@testing-library/user-event' import { render, screen } from '../../conftest.spec' import { InputJMESPath } from './InputMetainfo' import { SearchContext } from '../SearchContext' -import { ui } from '../../../config' +import { defaultApp } from '../../../defaultApp' import { DType } from '../../../utils' -const context = ui.apps.options.entries - test.each([ ['filter exists', 'results.material.n_elements', null], ['filter does not exist', 'not.present', "The quantity \"not.present\" is not available."], @@ -36,15 +34,15 @@ test.each([ const onChangeMock = jest.fn() render( <SearchContext - resource={context.resource} - initialPagination={context.pagination} - initialColumns={context.columns} - initialRows={context.rows} - initialSearchQuantities={context?.search_quantities} - initialMenu={context?.menu} - initialFiltersLocked={context.filters_locked} - initialDashboard={context?.dashboard} - initialSearchSyntaxes={context?.search_syntaxes} + resource={defaultApp.resource} + initialPagination={defaultApp.pagination} + initialColumns={defaultApp.columns} + initialRows={defaultApp.rows} + initialSearchQuantities={defaultApp?.search_quantities} + initialMenu={defaultApp?.menu} + initialFiltersLocked={defaultApp.filters_locked} + initialDashboard={defaultApp?.dashboard} + initialSearchSyntaxes={defaultApp?.search_syntaxes} > <InputJMESPath value={input} diff --git a/gui/src/components/uploads/SectionSelectDialog.js b/gui/src/components/uploads/SectionSelectDialog.js index 16b17b6b2c..fd9771c257 100644 --- a/gui/src/components/uploads/SectionSelectDialog.js +++ b/gui/src/components/uploads/SectionSelectDialog.js @@ -24,7 +24,8 @@ import Button from '@material-ui/core/Button' import DialogActions from '@material-ui/core/DialogActions' import PropTypes from 'prop-types' import {FreeformSearchContext, useSearchContext} from "../search/SearchContext" -import {ui, searchQuantities, apiBase} from "../../config" +import {searchQuantities, apiBase} from "../../config" +import {defaultApp} from "../../defaultApp" import SearchBar from '../search/SearchBar' import {useApi} from '../api' import {useUploadPageContext} from './UploadPageContext' @@ -41,7 +42,7 @@ import {getItemLabelKey} from '../archive/ArchiveBrowser' // Use the same context as in the global entries search, but with free-text // query enabled const searchDialogContext = React.createContext() -const context = cloneDeep(ui?.apps?.options?.entries) +const context = cloneDeep(defaultApp) context.search_syntaxes.exclude = undefined const useStyles = makeStyles(theme => ({ diff --git a/gui/src/defaultApp.js b/gui/src/defaultApp.js new file mode 100644 index 0000000000..0c3e45260e --- /dev/null +++ b/gui/src/defaultApp.js @@ -0,0 +1,1975 @@ +export const defaultApp = { + "label": "Entries", + "path": "entries", + "resource": "entries", + "category": "All", + "description": "Search entries across all domains", + "readme": "This page allows you to search **entries** within NOMAD. Entries represent any individual data items that have been uploaded to NOMAD, no matter whether they come from theoretical calculations, experiments, lab notebooks or any other source of data. This allows you to perform cross-domain queries, but if you are interested in a specific subfield, you should see if a specific application exists for it in the explore menu to get more details.", + "pagination": { + "order_by": "upload_create_time", + "order": "desc", + "page_size": 20 + }, + "columns": [ + { + "search_quantity": "entry_name", + "selected": true, + "title": "Name", + "align": "left" + }, + { + "search_quantity": "results.material.chemical_formula_hill", + "selected": true, + "title": "Formula", + "align": "left" + }, + { + "search_quantity": "entry_type", + "selected": true, + "align": "left" + }, + { + "search_quantity": "upload_create_time", + "selected": true, + "title": "Upload time", + "align": "left" + }, + { + "search_quantity": "authors", + "selected": true, + "align": "left" + }, + { + "search_quantity": "upload_name", + "selected": false, + "align": "left" + }, + { + "search_quantity": "upload_id", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.method.method_name", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.method.simulation.program_name", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.method.simulation.dft.xc_functional_type", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.method.simulation.precision.apw_cutoff", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.method.simulation.precision.basis_set", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.method.simulation.precision.k_line_density", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.method.simulation.precision.native_tier", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.method.simulation.precision.planewave_cutoff", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.material.structural_type", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.material.symmetry.crystal_system", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.material.symmetry.space_group_symbol", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.material.symmetry.space_group_number", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.eln.lab_ids", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.eln.sections", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.eln.methods", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.eln.tags", + "selected": false, + "align": "left" + }, + { + "search_quantity": "results.eln.instruments", + "selected": false, + "align": "left" + }, + { + "search_quantity": "mainfile", + "selected": false, + "align": "left" + }, + { + "search_quantity": "comment", + "selected": false, + "align": 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], - "include": [ - "runschema:run_schema_entry_point", - "simulationworkflowschema:simulationworkflow_schema_entry_point", - "electronicparsers:vasp_parser_entry_point" - ], - "options": { + }, "atomisticparsers:amber_parser_entry_point": { "id": "atomisticparsers:amber_parser_entry_point", "entry_point_type": "parser", @@ -7762,11 +7722,6 @@ window.nomadEnv = { } ] }, - "filters": { - "include": [ - "*#nomad_aitoolkit.schema.AIToolkitNotebook" - ] - }, "search_quantities": { "include": [ "*#nomad_aitoolkit.schema.AIToolkitNotebook" @@ -8542,13 +8497,6 @@ window.nomadEnv = { } ] }, - "filters": { - "exclude": [ - "mainfile", - "entry_name", - "combine" - ] - }, "search_quantities": { "exclude": [ "mainfile", @@ -9846,16 +9794,6 @@ window.nomadEnv = { } ] }, - "filters": { - "include": [ - "*#perovskite_solar_cell_database.schema.PerovskiteSolarCell" - ], - "exclude": [ - "mainfile", - "entry_name", - "combine" - ] - }, "search_quantities": { "include": [ "*#perovskite_solar_cell_database.schema.PerovskiteSolarCell" diff --git a/nomad/config/defaults.yaml b/nomad/config/defaults.yaml index fa0c84b5c3..e6f844bd68 100644 --- a/nomad/config/defaults.yaml +++ b/nomad/config/defaults.yaml @@ -728,538 +728,6 @@ ui: time: definition: atomic_unit_of_time locked: true - apps: - options: - entries: - label: Entries - path: entries - category: All - description: Search entries across all domains - readme: 'This page allows you to search **entries** within NOMAD. - Entries represent any individual data items that have - been uploaded to NOMAD, no matter whether they come from - theoretical calculations, experiments, lab notebooks or - any other source of data. This allows you to perform - cross-domain queries, but if you are interested in a - specific subfield, you should see if a specific - application exists for it in the explore menu to get - more details.' - filters: - exclude: - - mainfile - - entry_name - - combine - search_syntaxes: - exclude: - - free_text - columns: - selected: - - entry_name - - results.material.chemical_formula_hill - - entry_type - - upload_create_time - - authors - options: - entry_name: {label: Name} - results.material.chemical_formula_hill: {label: Formula} - entry_type: {} - entry_create_time: {} - upload_name: {} - upload_id: {} - upload_create_time: {label: Upload time} - authors: {} - results.method.method_name: {} - results.method.simulation.program_name: {} - results.method.simulation.dft.xc_functional_type: {} - results.method.simulation.precision.apw_cutoff: {} - results.method.simulation.precision.basis_set: {} - results.method.simulation.precision.k_line_density: {} - results.method.simulation.precision.native_tier: {} - results.method.simulation.precision.planewave_cutoff: {} - results.material.structural_type: {} - results.material.symmetry.crystal_system: {} - results.material.symmetry.space_group_symbol: {} - results.material.symmetry.space_group_number: {} - results.eln.lab_ids: {} - results.eln.sections: {} - results.eln.methods: {} - results.eln.tags: {} - results.eln.instruments: {} - mainfile: {} - comment: {} - references: {} - datasets: {} - published: {label: Access} - filter_menus: - options: - material: - label: Material - elements: - label: Elements / Formula - level: 1 - size: xl - structure: - label: Structure / Symmetry - level: 1 - method: - label: Method - precision: - label: Precision - level: 1 - dft: - label: DFT - level: 1 - tb: - label: TB - level: 1 - gw: - label: GW - level: 1 - bse: - label: BSE - level: 1 - dmft: - label: DMFT - level: 1 - eels: - label: EELS - level: 1 - workflow: - label: Workflow - molecular_dynamics: - label: Molecular dynamics - level: 1 - geometry_optimization: - label: Geometry Optimization - level: 1 - properties: - label: Properties - electronic: - label: Electronic - level: 1 - vibrational: - label: Vibrational - level: 1 - mechanical: - label: Mechanical - level: 1 - usecases: - label: Use Cases - solarcell: - label: Solar Cells - level: 1 - heterogeneouscatalyst: - label: Heterogeneous Catalysis - level: 1 - author: - label: Author / Origin / Dataset - size: m - metadata: - label: Visibility / IDs / Schema - optimade: - label: Optimade - size: m - - calculations: - label: Calculations - path: calculations - category: Theory - description: Search calculations - readme: 'This page allows you to search **calculations** within - NOMAD. Calculations typically come from a specific - simulation software that uses an approximate model to - investigate and report different physical properties.' - filters: - exclude: - - mainfile - - entry_name - - combine - filters_locked: - quantities: results.method.simulation.program_name - search_syntaxes: - exclude: - - free_text - columns: - selected: - - results.material.chemical_formula_hill - - results.method.simulation.program_name - - results.method.method_name - - results.method.simulation.dft.xc_functional_type - - upload_create_time - - authors - options: - results.material.chemical_formula_hill: {label: Formula} - results.method.simulation.program_name: {} - results.method.method_name: {} - results.method.simulation.dft.xc_functional_type: {} - upload_create_time: {label: Upload time} - authors: {} - results.method.simulation.precision.apw_cutoff: {} - results.method.simulation.precision.basis_set: {} - results.method.simulation.precision.k_line_density: {} - results.method.simulation.precision.native_tier: {} - results.method.simulation.precision.planewave_cutoff: {} - results.material.structural_type: {} - results.material.symmetry.crystal_system: {} - results.material.symmetry.space_group_symbol: {} - results.material.symmetry.space_group_number: {} - entry_name: {label: Name} - mainfile: {} - comment: {} - references: {} - datasets: {} - published: {label: Access} - filter_menus: - options: - material: - label: Material - elements: - label: Elements / Formula - level: 1 - size: xl - structure: - label: Structure / Symmetry - level: 1 - method: - label: Method - precision: - label: Precision - level: 1 - dft: - label: DFT - level: 1 - tb: - label: TB - level: 1 - gw: - label: GW - level: 1 - bse: - label: BSE - level: 1 - dmft: - label: DMFT - level: 1 - workflow: - label: Workflow - molecular_dynamics: - label: Molecular dynamics - level: 1 - geometry_optimization: - label: Geometry Optimization - level: 1 - properties: - label: Properties - electronic: - label: Electronic - level: 1 - vibrational: - label: Vibrational - level: 1 - mechanical: - label: Mechanical - level: 1 - author: - label: Author / Origin / Dataset - size: m - metadata: - label: Visibility / IDs / Schema - optimade: - label: Optimade - size: m - dashboard: - widgets: - - layout: - lg: {h: 11, minH: 3, minW: 3, w: 14, x: 0, y: 0} - md: {h: 8, minH: 3, minW: 3, w: 12, x: 0, y: 0} - sm: {h: 8, minH: 3, minW: 3, w: 12, x: 0, y: 0} - xl: {h: 11, minH: 3, minW: 3, w: 14, x: 0, y: 0} - xxl: {h: 9, minH: 3, minW: 3, w: 13, x: 0, y: 0} - quantity: results.material.elements - scale: linear - type: periodictable - - layout: - lg: {h: 5, minH: 3, minW: 3, w: 5, x: 19, y: 6} - md: {h: 6, minH: 3, minW: 3, w: 6, x: 12, y: 8} - sm: {h: 5, minH: 3, minW: 3, w: 6, x: 6, y: 13} - xl: {h: 6, minH: 3, minW: 3, w: 6, x: 24, y: 5} - xxl: {h: 9, minH: 3, minW: 3, w: 6, x: 30, y: 0} - quantity: results.material.symmetry.space_group_symbol - scale: linear - show_input: true - type: terms - - layout: - lg: {h: 6, minH: 3, minW: 3, w: 5, x: 19, y: 0} - md: {h: 6, minH: 3, minW: 3, w: 6, x: 0, y: 8} - sm: {h: 5, minH: 3, minW: 3, w: 6, x: 6, y: 8} - xl: {h: 11, minH: 3, minW: 3, w: 5, x: 19, y: 0} - xxl: {h: 9, minH: 3, minW: 3, w: 6, x: 19, y: 0} - quantity: results.material.structural_type - scale: log - show_input: false - type: terms - - layout: - lg: {h: 6, minH: 3, minW: 3, w: 5, x: 14, y: 0} - md: {h: 8, minH: 3, minW: 3, w: 6, x: 12, y: 0} - sm: {h: 5, minH: 3, minW: 3, w: 6, x: 0, y: 8} - xl: {h: 11, minH: 3, minW: 3, w: 5, x: 14, y: 0} - xxl: {h: 9, minH: 3, minW: 3, w: 6, x: 13, y: 0} - quantity: results.method.simulation.program_name - scale: log - show_input: true - type: terms - - layout: - lg: {h: 5, minH: 3, minW: 3, w: 5, x: 14, y: 6} - md: {h: 6, minH: 3, minW: 3, w: 6, x: 6, y: 8} - sm: {h: 5, minH: 3, minW: 3, w: 6, x: 0, y: 13} - xl: {h: 5, minH: 3, minW: 3, w: 6, x: 24, y: 0} - xxl: {h: 9, minH: 3, minW: 3, w: 5, x: 25, y: 0} - quantity: results.material.symmetry.crystal_system - scale: linear - show_input: false - type: terms - materials: - label: Materials - path: materials - resource: materials - category: Theory - description: Search materials that are identified from calculations - readme: 'This page allows you to search **materials** within - NOMAD. NOMAD can often automatically detect the material - from individual calculations that contain the full - atomistic structure and can then group the data by using - these detected materials. This allows you to search - individual materials which have properties that are - aggregated from several entries. Following the link for - a specific material will take you to the corresponding - [NOMAD Encyclopedia](https://nomad-lab.eu/prod/rae/encyclopedia/#/search) - page for that material. NOMAD Encyclopedia is a service - that is specifically oriented towards materials property - exploration. - - Notice that by default the properties that you search - can be combined from several different entries. If - instead you wish to search for a material with an - individual entry fullfilling your search criteria, - uncheck the **combine results from several - entries**-checkbox.' - pagination: - order: asc - order_by: chemical_formula_hill - search_syntaxes: - exclude: - - free_text - filters: - exclude: - - mainfile - - entry_name - rows: - actions: - enabled: true - details: - enabled: false - selection: - enabled: false - columns: - selected: - - chemical_formula_hill - - structural_type - - symmetry.structure_name - - symmetry.space_group_number - - symmetry.crystal_system - options: - chemical_formula_hill: {label: Formula} - structural_type: {} - symmetry.structure_name: {} - symmetry.space_group_number: {} - symmetry.crystal_system: {} - symmetry.space_group_symbol: {} - material_id: {} - filter_menus: - options: - material: - label: Material - elements: - label: Elements / Formula - level: 1 - size: xl - structure: - label: Structure / Symmetry - level: 1 - method: - label: Method - dft: - label: DFT - level: 1 - tb: - label: TB - level: 1 - gw: - label: GW - level: 1 - bse: - label: BSE - level: 1 - dmft: - label: DMFT - level: 1 - workflow: - label: Workflow - molecular_dynamics: - label: Molecular dynamics - level: 1 - geometry_optimization: - label: Geometry Optimization - level: 1 - properties: - label: Properties - electronic: - label: Electronic - level: 1 - vibrational: - label: Vibrational - level: 1 - mechanical: - label: Mechanical - level: 1 - author: - label: Author / Origin / Dataset - size: m - metadata: - label: Visibility / IDs / Schema - optimade: - label: Optimade - size: m - combine: - actions: - options: - combine: - label: Combine results from several entries - quantity: combine - type: checkbox - eln: - label: ELN - path: eln - category: Experiment - description: Search electronic lab notebooks - readme: 'This page allows you to specifically seach **electronic - lab notebooks (ELNs)** within NOMAD. It is very similar - to the entries search, but with a reduced filter set and - specialized arrangement of default columns.' - filters: - exclude: - - mainfile - - entry_name - - combine - filters_locked: - quantities: data - columns: - selected: - - entry_name - - entry_type - - upload_create_time - - authors - options: - entry_name: {label: Name} - entry_type: {} - upload_create_time: {label: Upload time} - authors: {} - results.material.chemical_formula_hill: {label: Formula} - results.method.method_name: {} - results.eln.lab_ids: {} - results.eln.sections: {} - results.eln.methods: {} - results.eln.tags: {} - results.eln.instruments: {} - mainfile: {} - comment: {} - references: {} - datasets: {} - published: {label: Access} - filter_menus: - options: - material: - label: Material - elements: - label: Elements / Formula - level: 1 - size: xl - eln: - label: Electronic Lab Notebook - custom_quantities: - label: User Defined Quantities - size: l - author: - label: Author / Origin / Dataset - size: m - metadata: - label: Visibility / IDs / Schema - optimade: - label: Optimade - size: m - eels: - label: EELS - path: eels - category: Experiment - description: Search electron energy loss spectroscopy experiments - readme: 'This page allows you to spefically search **Electron - Energy Loss Spectroscopy (EELS) experiments** within - NOMAD. It is similar to the entries search, but with a - reduced filter set and specialized arrangement of - default columns.' - filters: - exclude: - - mainfile - - entry_name - - combine - filters_locked: - results.method.method_name: EELS - search_syntaxes: - exclude: - - free_text - columns: - selected: - - results.material.chemical_formula_hill - - results.properties.spectroscopic.spectra.provenance.eels.detector_type - - results.properties.spectroscopic.spectra.provenance.eels.resolution - - upload_create_time - - authors - options: - results.material.chemical_formula_hill: {label: Formula} - results.properties.spectroscopic.spectra.provenance.eels.detector_type: {} - results.properties.spectroscopic.spectra.provenance.eels.resolution: {} - upload_create_time: {label: Upload time} - authors: {} - results.properties.spectroscopic.spectra.provenance.eels.min_energy: {} - results.properties.spectroscopic.spectra.provenance.eels.max_energy: {} - entry_name: {label: Name} - entry_type: {} - mainfile: {} - comment: {} - references: {} - datasets: {} - published: {label: Access} - filter_menus: - options: - material: - label: Material - elements: - label: Elements / Formula - level: 1 - size: xl - method: - label: Method - eels: - label: EELS - level: 1 - author: - label: Author / Origin / Dataset - size: m - metadata: - label: Visibility / IDs / Schema - optimade: - label: Optimade - size: m plugins: entry_points: exclude: @@ -1402,3 +870,548 @@ plugins: description: | This example shows users how to take data from a Python framework and map it out to a Nexus application definition for IV Temperature measurements, [NXiv_temp](https://fairmat-experimental.github.io/nexus-fairmat-proposal/1c3806dba40111f36a16d0205cc39a5b7d52ca2e/classes/contributed_definitions/NXiv_temp.html#nxiv-temp). We use the Nexus ELN features of Nomad to generate a Nexus file. + apps/1_all/1_entries: + entry_point_type: app + app: + label: Entries + path: entries + category: All + description: Search entries across all domains + readme: 'This page allows you to search **entries** within NOMAD. + Entries represent any individual data items that have + been uploaded to NOMAD, no matter whether they come from + theoretical calculations, experiments, lab notebooks or + any other source of data. This allows you to perform + cross-domain queries, but if you are interested in a + specific subfield, you should see if a specific + application exists for it in the explore menu to get + more details.' + filters: + exclude: + - mainfile + - entry_name + - combine + search_syntaxes: + exclude: + - free_text + columns: + - search_quantity: entry_name + title: Name + selected: true + - search_quantity: results.material.chemical_formula_hill + title: Formula + selected: true + - search_quantity: entry_type + selected: true + - search_quantity: upload_create_time + title: Upload time + selected: true + - search_quantity: authors + selected: true + - search_quantity: upload_name + - search_quantity: upload_id + - search_quantity: results.method.method_name + - search_quantity: results.method.simulation.program_name + - search_quantity: results.method.simulation.dft.xc_functional_type + - search_quantity: results.method.simulation.precision.apw_cutoff + - search_quantity: results.method.simulation.precision.basis_set + - search_quantity: results.method.simulation.precision.k_line_density + - search_quantity: results.method.simulation.precision.native_tier + - search_quantity: results.method.simulation.precision.planewave_cutoff + - search_quantity: results.material.structural_type + - search_quantity: results.material.symmetry.crystal_system + - search_quantity: results.material.symmetry.space_group_symbol + - search_quantity: results.material.symmetry.space_group_number + - search_quantity: results.eln.lab_ids + - search_quantity: results.eln.sections + - search_quantity: results.eln.methods + - search_quantity: results.eln.tags + - search_quantity: results.eln.instruments + - search_quantity: mainfile + - search_quantity: comment + - search_quantity: references + - search_quantity: datasets + - search_quantity: published + title: Access + filter_menus: + options: + material: + label: Material + elements: + label: Elements / Formula + level: 1 + size: xl + structure: + label: Structure / Symmetry + level: 1 + method: + label: Method + precision: + label: Precision + level: 1 + dft: + label: DFT + level: 1 + tb: + label: TB + level: 1 + gw: + label: GW + level: 1 + bse: + label: BSE + level: 1 + dmft: + label: DMFT + level: 1 + eels: + label: EELS + level: 1 + workflow: + label: Workflow + molecular_dynamics: + label: Molecular dynamics + level: 1 + geometry_optimization: + label: Geometry Optimization + level: 1 + properties: + label: Properties + electronic: + label: Electronic + level: 1 + vibrational: + label: Vibrational + level: 1 + mechanical: + label: Mechanical + level: 1 + usecases: + label: Use Cases + solarcell: + label: Solar Cells + level: 1 + heterogeneouscatalyst: + label: Heterogeneous Catalysis + level: 1 + author: + label: Author / Origin / Dataset + size: m + metadata: + label: Visibility / IDs / Schema + optimade: + label: Optimade + size: m + apps/2_theory/1_calculations: + entry_point_type: app + app: + label: Calculations + path: calculations + category: Theory + description: Search calculations + readme: 'This page allows you to search **calculations** within + NOMAD. Calculations typically come from a specific + simulation software that uses an approximate model to + investigate and report different physical properties.' + filters: + exclude: + - mainfile + - entry_name + - combine + filters_locked: + quantities: results.method.simulation.program_name + search_syntaxes: + exclude: + - free_text + columns: + - search_quantity: results.material.chemical_formula_hill + title: Formula + selected: true + - search_quantity: results.method.simulation.program_name + selected: true + - search_quantity: results.method.method_name + selected: true + - search_quantity: results.method.simulation.dft.xc_functional_type + selected: true + - search_quantity: upload_create_time + title: Upload time + selected: true + - search_quantity: authors + selected: true + - search_quantity: results.method.simulation.precision.apw_cutoff + - search_quantity: results.method.simulation.precision.basis_set + - search_quantity: results.method.simulation.precision.k_line_density + - search_quantity: results.method.simulation.precision.native_tier + - search_quantity: results.method.simulation.precision.planewave_cutoff + - search_quantity: results.material.structural_type + - search_quantity: results.material.symmetry.crystal_system + - search_quantity: results.material.symmetry.space_group_symbol + - search_quantity: results.material.symmetry.space_group_number + - search_quantity: entry_name + title: Name + - search_quantity: mainfile + - search_quantity: comment + - search_quantity: references + - search_quantity: datasets + - search_quantity: published + title: Access + filter_menus: + options: + material: + label: Material + elements: + label: Elements / Formula + level: 1 + size: xl + structure: + label: Structure / Symmetry + level: 1 + method: + label: Method + precision: + label: Precision + level: 1 + dft: + label: DFT + level: 1 + tb: + label: TB + level: 1 + gw: + label: GW + level: 1 + bse: + label: BSE + level: 1 + dmft: + label: DMFT + level: 1 + workflow: + label: Workflow + molecular_dynamics: + label: Molecular dynamics + level: 1 + geometry_optimization: + label: Geometry Optimization + level: 1 + properties: + label: Properties + electronic: + label: Electronic + level: 1 + vibrational: + label: Vibrational + level: 1 + mechanical: + label: Mechanical + level: 1 + author: + label: Author / Origin / Dataset + size: m + metadata: + label: Visibility / IDs / Schema + optimade: + label: Optimade + size: m + dashboard: + widgets: + - layout: + lg: {h: 11, minH: 3, minW: 3, w: 14, x: 0, y: 0} + md: {h: 8, minH: 3, minW: 3, w: 12, x: 0, y: 0} + sm: {h: 8, minH: 3, minW: 3, w: 12, x: 0, y: 0} + xl: {h: 11, minH: 3, minW: 3, w: 14, x: 0, y: 0} + xxl: {h: 9, minH: 3, minW: 3, w: 13, x: 0, y: 0} + quantity: results.material.elements + scale: linear + type: periodictable + - layout: + lg: {h: 5, minH: 3, minW: 3, w: 5, x: 19, y: 6} + md: {h: 6, minH: 3, minW: 3, w: 6, x: 12, y: 8} + sm: {h: 5, minH: 3, minW: 3, w: 6, x: 6, y: 13} + xl: {h: 6, minH: 3, minW: 3, w: 6, x: 24, y: 5} + xxl: {h: 9, minH: 3, minW: 3, w: 6, x: 30, y: 0} + quantity: results.material.symmetry.space_group_symbol + scale: linear + show_input: true + type: terms + - layout: + lg: {h: 6, minH: 3, minW: 3, w: 5, x: 19, y: 0} + md: {h: 6, minH: 3, minW: 3, w: 6, x: 0, y: 8} + sm: {h: 5, minH: 3, minW: 3, w: 6, x: 6, y: 8} + xl: {h: 11, minH: 3, minW: 3, w: 5, x: 19, y: 0} + xxl: {h: 9, minH: 3, minW: 3, w: 6, x: 19, y: 0} + quantity: results.material.structural_type + scale: log + show_input: false + type: terms + - layout: + lg: {h: 6, minH: 3, minW: 3, w: 5, x: 14, y: 0} + md: {h: 8, minH: 3, minW: 3, w: 6, x: 12, y: 0} + sm: {h: 5, minH: 3, minW: 3, w: 6, x: 0, y: 8} + xl: {h: 11, minH: 3, minW: 3, w: 5, x: 14, y: 0} + xxl: {h: 9, minH: 3, minW: 3, w: 6, x: 13, y: 0} + quantity: results.method.simulation.program_name + scale: log + show_input: true + type: terms + - layout: + lg: {h: 5, minH: 3, minW: 3, w: 5, x: 14, y: 6} + md: {h: 6, minH: 3, minW: 3, w: 6, x: 6, y: 8} + sm: {h: 5, minH: 3, minW: 3, w: 6, x: 0, y: 13} + xl: {h: 5, minH: 3, minW: 3, w: 6, x: 24, y: 0} + xxl: {h: 9, minH: 3, minW: 3, w: 5, x: 25, y: 0} + quantity: results.material.symmetry.crystal_system + scale: linear + show_input: false + type: terms + apps/2_theory/2_materials: + entry_point_type: app + app: + label: Materials + path: materials + resource: materials + category: Theory + description: Search materials that are identified from calculations + readme: 'This page allows you to search **materials** within + NOMAD. NOMAD can often automatically detect the material + from individual calculations that contain the full + atomistic structure and can then group the data by using + these detected materials. This allows you to search + individual materials which have properties that are + aggregated from several entries. Following the link for + a specific material will take you to the corresponding + [NOMAD Encyclopedia](https://nomad-lab.eu/prod/rae/encyclopedia/#/search) + page for that material. NOMAD Encyclopedia is a service + that is specifically oriented towards materials property + exploration. + + Notice that by default the properties that you search + can be combined from several different entries. If + instead you wish to search for a material with an + individual entry fullfilling your search criteria, + uncheck the **combine results from several + entries**-checkbox.' + pagination: + order: asc + order_by: chemical_formula_hill + search_syntaxes: + exclude: + - free_text + filters: + exclude: + - mainfile + - entry_name + rows: + actions: + enabled: true + details: + enabled: false + selection: + enabled: false + columns: + - search_quantity: chemical_formula_hill + title: Formula + selected: true + - search_quantity: structural_type + selected: true + - search_quantity: symmetry.structure_name + selected: true + - search_quantity: symmetry.space_group_number + selected: true + - search_quantity: symmetry.crystal_system + selected: true + - search_quantity: symmetry.space_group_symbol + - search_quantity: material_id + filter_menus: + options: + material: + label: Material + elements: + label: Elements / Formula + level: 1 + size: xl + structure: + label: Structure / Symmetry + level: 1 + method: + label: Method + dft: + label: DFT + level: 1 + tb: + label: TB + level: 1 + gw: + label: GW + level: 1 + bse: + label: BSE + level: 1 + dmft: + label: DMFT + level: 1 + workflow: + label: Workflow + molecular_dynamics: + label: Molecular dynamics + level: 1 + geometry_optimization: + label: Geometry Optimization + level: 1 + properties: + label: Properties + electronic: + label: Electronic + level: 1 + vibrational: + label: Vibrational + level: 1 + mechanical: + label: Mechanical + level: 1 + author: + label: Author / Origin / Dataset + size: m + metadata: + label: Visibility / IDs / Schema + optimade: + label: Optimade + size: m + combine: + actions: + options: + combine: + label: Combine results from several entries + quantity: combine + type: checkbox + apps/3_experiment/1_eln: + entry_point_type: app + app: + label: ELN + path: eln + category: Experiment + description: Search electronic lab notebooks + readme: 'This page allows you to specifically seach **electronic + lab notebooks (ELNs)** within NOMAD. It is very similar + to the entries search, but with a reduced filter set and + specialized arrangement of default columns.' + filters: + exclude: + - mainfile + - entry_name + - combine + filters_locked: + quantities: data + columns: + - search_quantity: entry_name + title: Name + selected: true + - search_quantity: entry_type + selected: true + - search_quantity: upload_create_time + title: Upload time + selected: true + - search_quantity: authors + selected: true + - search_quantity: results.material.chemical_formula_hill + title: Formula + - search_quantity: results.method.method_name + - search_quantity: results.eln.lab_ids + - search_quantity: results.eln.sections + - search_quantity: results.eln.methods + - search_quantity: results.eln.tags + - search_quantity: results.eln.instruments + - search_quantity: mainfile + - search_quantity: comment + - search_quantity: references + - search_quantity: datasets + - search_quantity: published + title: Access + filter_menus: + options: + material: + label: Material + elements: + label: Elements / Formula + level: 1 + size: xl + eln: + label: Electronic Lab Notebook + custom_quantities: + label: User Defined Quantities + size: l + author: + label: Author / Origin / Dataset + size: m + metadata: + label: Visibility / IDs / Schema + optimade: + label: Optimade + size: m + apps/3_experiment/2_eels: + entry_point_type: app + app: + label: EELS + path: eels + category: Experiment + description: Search electron energy loss spectroscopy experiments + readme: 'This page allows you to spefically search **Electron + Energy Loss Spectroscopy (EELS) experiments** within + NOMAD. It is similar to the entries search, but with a + reduced filter set and specialized arrangement of + default columns.' + filters: + exclude: + - mainfile + - entry_name + - combine + filters_locked: + results.method.method_name: EELS + search_syntaxes: + exclude: + - free_text + columns: + - search_quantity: results.material.chemical_formula_hill + title: Formula + selected: true + - search_quantity: results.properties.spectroscopic.spectra.provenance.eels.detector_type + selected: true + - search_quantity: results.properties.spectroscopic.spectra.provenance.eels.resolution + selected: true + - search_quantity: upload_create_time + title: Upload time + selected: true + - search_quantity: authors + selected: true + - search_quantity: results.properties.spectroscopic.spectra.provenance.eels.min_energy + - search_quantity: results.properties.spectroscopic.spectra.provenance.eels.max_energy + - search_quantity: entry_name + title: Name + - search_quantity: entry_type + - search_quantity: mainfile + - search_quantity: comment + - search_quantity: references + - search_quantity: datasets + - search_quantity: published + title: Access + filter_menus: + options: + material: + label: Material + elements: + label: Elements / Formula + level: 1 + size: xl + method: + label: Method + eels: + label: EELS + level: 1 + author: + label: Author / Origin / Dataset + size: m + metadata: + label: Visibility / IDs / Schema + optimade: + label: Optimade + size: m \ No newline at end of file diff --git a/nomad/config/models/ui.py b/nomad/config/models/ui.py index bc5bb8e33e..9f76e785d7 100644 --- a/nomad/config/models/ui.py +++ b/nomad/config/models/ui.py @@ -1164,6 +1164,7 @@ class App(ConfigBaseModel): filters = values.get('filters') if filters and not values.get('search_quantities'): values['search_quantities'] = filters + del values['filters'] # Backwards compatibility for FilterMenus filter_menus = values.get('filter_menus') @@ -1862,7 +1863,10 @@ class UI(ConfigBaseModel): None, description='Controls the available unit systems.' ) entry: Entry = Field(None, description='Controls the entry visualization.') - apps: Apps = Field(None, description='Contains the App definitions.') + apps: Apps = Field( + None, + deprecated='The "ui.apps" field is deprecated. You should define apps either via plugins or in "plugins.entry_points.options".', + ) north: NORTHUI = Field( NORTHUI(), description='NORTH (NOMAD Remote Tools Hub) UI configuration.' ) diff --git a/nomad/mkdocs.py b/nomad/mkdocs.py index 7f06ceeb20..bfbf447399 100644 --- a/nomad/mkdocs.py +++ b/nomad/mkdocs.py @@ -444,36 +444,40 @@ def define_env(env): @env.macro def plugin_entry_point_list(): # pylint: disable=unused-variable - plugins = [plugin for plugin in config.plugins.entry_points.options.values()] + plugin_entry_points = [ + plugin for plugin in config.plugins.entry_points.options.values() + ] + plugin_packages = config.plugins.plugin_packages def render_plugin(plugin: EntryPointType) -> str: - result = plugin.name + result = plugin.id docs_or_code_url = None - for field in [ - 'plugin_documentation_url', - 'plugin_source_code_url', - 'documentation', - 'repository', - ]: - value = getattr(plugin, field, None) - if value: - docs_or_code_url = value - break + package = plugin_packages.get(getattr(plugin, 'plugin_package')) + if package is not None: + for field in [ + 'repository', + 'homepage', + 'documentation', + ]: + value = getattr(package, field, None) + if value: + docs_or_code_url = value + break if docs_or_code_url: - result = f'[{plugin.name}]({docs_or_code_url})' - if plugin.description: - result = f'{result} ({plugin.description})' + result = f'[{plugin.id}]({docs_or_code_url})' return result categories = {} - for plugin in plugins: + for plugin_entry_point in plugin_entry_points: category = getattr( - plugin, 'plugin_type', getattr(plugin, 'entry_point_type', None) + plugin_entry_point, + 'plugin_type', + getattr(plugin_entry_point, 'entry_point_type', None), ) if category == 'schema': category = 'schema package' - categories.setdefault(category, []).append(plugin) + categories.setdefault(category, []).append(plugin_entry_point) return '\n\n'.join( [ -- GitLab