From e2444fe2d9e813405342ceca40a1988ff0a6df27 Mon Sep 17 00:00:00 2001 From: Zahed <15104662+zxwtstar@users.noreply.github.com> Date: Mon, 8 Apr 2024 07:41:32 +0200 Subject: [PATCH 1/2] Update providers.json - adding DAICS to the providers list --- src/links/v1/providers.json | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/src/links/v1/providers.json b/src/links/v1/providers.json index abc8652..b59e2a4 100644 --- a/src/links/v1/providers.json +++ b/src/links/v1/providers.json @@ -74,6 +74,17 @@ "link_type": "external" } }, + { + "type": "links", + "id": "daics", + "attributes": { + "name": "Database of Ab Initio Crystal Structures", + "description": "The Database of Ab Initio Crystal Structures (DAICS) encompasses a vast collection of both theoretical and experimental crystal structures. These structures have been calculated using Density Functional Theory (DFT), with the VASP code.", + "base_url": "https://core.daics.net/Optimade/v1/", + "homepage": "https://www.daics.net/", + "link_type": "external" + } + }, { "type": "links", "id": "exmpl", From 54484021fab6cdcb307e4bb489ea3517c26d1c5d Mon Sep 17 00:00:00 2001 From: Zahed Date: Mon, 8 Apr 2024 09:24:38 +0200 Subject: [PATCH 2/2] Implementing DAICS within OPTIMADE --- src/index-metadbs/daics/v1/info.json | 42 +++++++++++++++++++++++++++ src/index-metadbs/daics/v1/links.json | 34 ++++++++++++++++++++++ src/links/v1/providers.json | 2 +- 3 files changed, 77 insertions(+), 1 deletion(-) create mode 100644 src/index-metadbs/daics/v1/info.json create mode 100644 src/index-metadbs/daics/v1/links.json diff --git a/src/index-metadbs/daics/v1/info.json b/src/index-metadbs/daics/v1/info.json new file mode 100644 index 0000000..f5396d1 --- /dev/null +++ b/src/index-metadbs/daics/v1/info.json @@ -0,0 +1,42 @@ +{ + "meta" : { + "api_version" : "1.0.0", + "query" : { + "representation" : "/info" + }, + "more_data_available" : false, + "schema" : "https://schemas.optimade.org/openapi/v1.0/optimade_index.json" + }, + "data" : { + "attributes" : { + "available_api_versions" : [ + { + "version" : "1.0.0", + "url" : "https://providers.optimade.org/index-metadbs/daics/v1/" + } + ], + "is_index" : true, + "formats" : [ + "json" + ], + "entry_types_by_format" : { + "json" : [] + }, + "available_endpoints" : [ + "info", + "links" + ], + "api_version" : "1.0.0" + }, + "type" : "info", + "relationships" : { + "default" : { + "data" : { + "id" : "daics", + "type" : "links" + } + } + }, + "id" : "/" + } +} diff --git a/src/index-metadbs/daics/v1/links.json b/src/index-metadbs/daics/v1/links.json new file mode 100644 index 0000000..38e9836 --- /dev/null +++ b/src/index-metadbs/daics/v1/links.json @@ -0,0 +1,34 @@ +{ + "meta" : { + "api_version" : "1.0.0", + "query" : { + "representation" : "/links" + }, + "more_data_available" : false, + "schema" : "https://schemas.optimade.org/openapi/v1.0/optimade_index.json" + }, + "data" : [ + { + "id": "daics", + "type": "links", + "attributes": { + "name": "Database of Ab Initio Crystal Structures", + "description": "The Database of Ab Initio Crystal Structures (DAICS) encompasses a vast collection of both theoretical and experimental crystal structures calculated using Density Functional Theory (DFT), with the VASP code.", + "base_url": "https://core.daics.net/Optimade/v1/", + "homepage": "https://www.daics.net/", + "link_type": "child" + } + }, + { + "id" : "optimade-providers", + "type" : "links", + "attributes" : { + "name": "OPTIMADE Providers Index Meta-Database", + "description": "The list of OPTIMADE providers maintained by Materials-Consortia", + "base_url": "https://providers.optimade.org", + "homepage": "https://www.optimade.org", + "link_type": "providers" + } + } + ] +} diff --git a/src/links/v1/providers.json b/src/links/v1/providers.json index b59e2a4..bc91396 100644 --- a/src/links/v1/providers.json +++ b/src/links/v1/providers.json @@ -79,7 +79,7 @@ "id": "daics", "attributes": { "name": "Database of Ab Initio Crystal Structures", - "description": "The Database of Ab Initio Crystal Structures (DAICS) encompasses a vast collection of both theoretical and experimental crystal structures. These structures have been calculated using Density Functional Theory (DFT), with the VASP code.", + "description": "The Database of Ab Initio Crystal Structures (DAICS) encompasses a vast collection of both theoretical and experimental crystal structures calculated using Density Functional Theory (DFT), with the VASP code.", "base_url": "https://core.daics.net/Optimade/v1/", "homepage": "https://www.daics.net/", "link_type": "external"