Merge pull request #71 from ccdc-opensource/PLA-1538

Pla 1538 4.1 changes

README.md

@@ -80,10 +80,11 @@ Here is an example of the .env file:
 
 ```
 CCDC_LICENSING_CONFIGURATION=la-code;123456-123456-123456-123456-123456-123456;
-CSD_DB_CONNECTIONSTRING=Server=database-server;Port=5432;Database=csd-database;User Id=postgres;Password=passwordhere
-IDENTITY_DB_CONNECTIONSTRING=Server=database-server;Port=5432;Database=csd-identity;User Id=postgres;Password=passwordhere
-PLATFORM_PORT=443
+DB_CONNECTIONSTRING=Server=database-server;Port=5432;User Id=postgres;Password=passwordhere
+CSD_DATABASE=csd-database
+IDENTITY_DATABASE=csd-identity
 PUBLIC_URI=https://csd-software.local
+PLATFORM_PORT=443
 ```
 
 Where stated, some of these variables will be provided by CCDC; all other variables are for the user to generate and set.

docker-compose.macromolecule-hub.yml

@@ -15,25 +15,25 @@ services:
 
   ccdc-csd-substructuresearch:
     environment:
-      - PdbReadConnection=${CSD_DB_CONNECTIONSTRING};SearchPath=structure_optimisation
+      - PdbReadConnection=${DB_CONNECTIONSTRING};SearchPath=structure_optimisation;Database=${CSD_DATABASE}
       - SubstructureSearchDatabaseConfiguration__Databases__1__Name=pdb
       - SubstructureSearchDatabaseConfiguration__Databases__1__SettingsKey=PdbReadConnection
 
   ccdc-csd-deposition:
     environment:
-      - DepositionPdbReadConnection=${CSD_DB_CONNECTIONSTRING};SearchPath=pdb_schema
+      - DepositionPdbReadConnection=${DB_CONNECTIONSTRING};SearchPath=pdb_schema;Database=${CSD_DATABASE}
       - DatabaseConfiguration__Databases__1__Name=pdb
       - DatabaseConfiguration__Databases__1__SettingsKey=DepositionPdbReadConnection
 
   ccdc-csd-textnumericsearch:
     environment:
-      - PdbReadConnection=${CSD_DB_CONNECTIONSTRING};SearchPath=pdb_schema
+      - PdbReadConnection=${DB_CONNECTIONSTRING};SearchPath=pdb_schema;Database=${CSD_DATABASE}
       - DatabaseConfiguration__Databases__1__Name=pdb
       - DatabaseConfiguration__Databases__1__SettingsKey=PdbReadConnection
 
 
   ccdc-csd-unitcellsearch:
     environment:
-      - UnitCellPdbReadConnection=${CSD_DB_CONNECTIONSTRING};SearchPath=pdb_cell_optimisation
+      - UnitCellPdbReadConnection=${DB_CONNECTIONSTRING};SearchPath=pdb_cell_optimisation;Database=${CSD_DATABASE}
       - DatabaseConfiguration__Databases__1__Name=pdb
       - DatabaseConfiguration__Databases__1__SettingsKey=UnitCellPdbReadConnection

docker-compose.sample-csd-theory-db-config.yml

@@ -12,13 +12,11 @@ services:
 
   webcsdbackend:
     volumes:
-      - /path/to/database-1:/csd-data/database-1
-      - /path/to/database-2:/csd-data/database-2
+      - /path/to/CSD-Theory Landscape Database:/csd-data/CSPLandscape.csdsqlx
     environment:
-      - ServiceSettings__Databases__2__Name=database-1
-      - ServiceSettings__Databases__2__ConnectionString=/csd-data/database-1
-      - ServiceSettings__Databases__3__Name=database-2
-      - ServiceSettings__Databases__3__ConnectionString=/csd-data/database-2
+      - ServiceSettings__Databases__2__Name=CSP Database
+      - ServiceSettings__Databases__2__ConnectionString=/csd-data/CSPLandscape.csdsqlx
+      - ServiceSettings__Databases__2__Speciality__0=CSP
 
   webcsd:
     volumes:

docker-compose.yml

@@ -28,25 +28,25 @@ services:
     restart: unless-stopped
 
   ccdc-identity:
-    image: ccdcrepository.azurecr.io/onsite/ccdc-identitygateway:4.0.0
+    image: ccdcrepository.azurecr.io/onsite/ccdc-identitygateway:4.1.0
     environment:
-      - "ConnectionStrings__DefaultConnection=${IDENTITY_DB_CONNECTIONSTRING}"
-      - "PlatformClientSettings__RedirectUri=${PUBLIC_URI}/authentication/login-callback"
-      - "PlatformClientSettings__PostLogoutRedirectUri=${PUBLIC_URI}/authentication/logout-callback"
-      - "WebCsdClientSettings__RedirectUri=${PUBLIC_URI}/structures/signin-oidc"
-      - "WebCsdClientSettings__PostLogoutRedirectUri=${PUBLIC_URI}/structures/signout-oidc"
+      - ConnectionStrings__DefaultConnection=${DB_CONNECTIONSTRING};Database=${IDENTITY_DATABASE}
+      - "PlatformClientSettings__RedirectUris__0=${PUBLIC_URI}/authentication/login-callback"
+      - "PlatformClientSettings__PostLogoutRedirectUris__0=${PUBLIC_URI}/authentication/logout-callback"
+      - "WebCsdClientSettings__RedirectUris__0=${PUBLIC_URI}/structures/signin-oidc"
+      - "WebCsdClientSettings__PostLogoutRedirectUris__0=${PUBLIC_URI}/structures/signout-oidc"
     depends_on:
       - webcsdbackend
     restart: unless-stopped
 
   webcsd:
     environment:
-      - IdentityGateway__Authority=${PUBLIC_URI}
+      - IdentityGateway__Issuer=${PUBLIC_URI}
       - IdentityGateway__DisableSSLValidation=true
     depends_on:
       - ccdc-csd-searchservice
       - csd-request-entry
-    image: ccdcrepository.azurecr.io/onsite/webcsd:4.0.0
+    image: ccdcrepository.azurecr.io/onsite/webcsd:4.1.0
     volumes:
       - ./userdata:/app/OnSite
     labels:
@@ -57,7 +57,7 @@ services:
     depends_on:
       - ccdc-csd-searchservice
       - csd-request-entry
-    image: ccdcrepository.azurecr.io/onsite/webcsdbackend:4.0.0
+    image: ccdcrepository.azurecr.io/onsite/webcsdbackend:4.1.0
     environment:
       - CCDC_LICENSING_CONFIGURATION=${CCDC_LICENSING_CONFIGURATION}
     labels:
@@ -74,23 +74,23 @@ services:
       - ccdc-csd-fingerprint
       - ccdc-csd-deposition
     environment:
-      - StructureSearchReadConnection=${CSD_DB_CONNECTIONSTRING};SearchPath=substructure
+      - StructureSearchReadConnection=${DB_CONNECTIONSTRING};SearchPath=substructure;Database=${CSD_DATABASE}
     restart: unless-stopped
 
   ccdc-csd-deposition:
     labels:
       <<: *k8s-labels
     image: ccdcrepository.azurecr.io/onsite/ccdc-csd-deposition-api:4.0.0
     environment:
-      - CsdDepositionReadConnection=${CSD_DB_CONNECTIONSTRING};SearchPath=csd_schema
+      - CsdDepositionReadConnection=${DB_CONNECTIONSTRING};SearchPath=csd_schema;Database=${CSD_DATABASE}
     restart: unless-stopped
 
   ccdc-csd-textnumericsearch:
     labels:
       <<: *k8s-labels
     image: ccdcrepository.azurecr.io/onsite/ccdc-csd-textnumericsearch-api:4.0.0
     environment:
-      - CsdReadConnection=${CSD_DB_CONNECTIONSTRING};SearchPath=csd_schema
+      - CsdReadConnection=${DB_CONNECTIONSTRING};SearchPath=csd_schema;Database=${CSD_DATABASE}
     restart: unless-stopped
 
   ccdc-csd-searchservice:
@@ -120,7 +120,7 @@ services:
       <<: *k8s-labels
     image: ccdcrepository.azurecr.io/onsite/ccdc-csd-formulasearch-api:4.0.0
     environment:
-      - FormulaSearchReadConnection=${CSD_DB_CONNECTIONSTRING};SearchPath=formula
+      - FormulaSearchReadConnection=${DB_CONNECTIONSTRING};SearchPath=formula;Database=${CSD_DATABASE}
     restart: unless-stopped
 
   ccdc-csd-unitcellsearch:
@@ -130,15 +130,15 @@ services:
       - ccdc-csd-reducedcell-calculation-service
     image: ccdcrepository.azurecr.io/onsite/ccdc-csd-unit-cell-search:4.0.0
     environment:
-      - UnitCellSearchReadConnection=${CSD_DB_CONNECTIONSTRING};SearchPath=unitcell
+      - UnitCellSearchReadConnection=${DB_CONNECTIONSTRING};SearchPath=unitcell;Database=${CSD_DATABASE}
     restart: unless-stopped
 
   ccdc-csd-resultstore:
     labels:
       <<: *k8s-labels
     image: ccdcrepository.azurecr.io/onsite/ccdc-csd-resultstore-api:4.0.0
     environment:
-    - ResultStoreConnectionString=${CSD_DB_CONNECTIONSTRING};SearchPath=searchstore
+    - ResultStoreConnectionString=${DB_CONNECTIONSTRING};SearchPath=searchstore;Database=${CSD_DATABASE}
     restart: unless-stopped
 
   ccdc-csd-similaritysearch:
@@ -148,7 +148,7 @@ services:
       - ccdc-csd-fingerprint
     image: ccdcrepository.azurecr.io/onsite/ccdc-csd-structure-similarity-search:4.0.0
     environment:
-      - StructureSimilaritySearchReadConnection=${CSD_DB_CONNECTIONSTRING};SearchPath=similarity
+      - StructureSimilaritySearchReadConnection=${DB_CONNECTIONSTRING};SearchPath=similarity;Database=${CSD_DATABASE}
     restart: unless-stopped
 
   ccdc-csd-fingerprint:
@@ -166,7 +166,7 @@ services:
   ccdc-csd-crystal-structure-export:
     labels:
       <<: *k8s-labels
-    image: ccdcrepository.azurecr.io/onsite/ccdc-csd-crystal-structure-export-service:4.0.0
+    image: ccdcrepository.azurecr.io/onsite/ccdc-csd-crystal-structure-export-service:4.1.0
     restart: unless-stopped
 
   ccdc-csd-reducedcell-calculation-service:
@@ -181,4 +181,23 @@ services:
     image: ccdcrepository.azurecr.io/onsite/csd-theory:4.0.0
     environment:
       - CCDC_LICENSING_CONFIGURATION=${CCDC_LICENSING_CONFIGURATION}
-    restart: unless-stopped
+    restart: unless-stopped
+
+  message-broker:
+      image: rabbitmq:3
+      environment:
+        RABBITMQ_DEFAULT_USER: queueuser
+        RABBITMQ_DEFAULT_PASS: ${CCDC_LICENSING_CONFIGURATION}
+      restart: unless-stopped 
+
+  ccdc-file-generation:
+    restart: unless-stopped
+    image: ccdcrepository.azurecr.io/onsite/ccdc-structure-file-generation:4.1.0
+    environment:
+      - CacheSettings__ConnectionString=${DB_CONNECTIONSTRING};Database=structure_file_cache
+      - MessagingProvider=RabbitMq
+      - MessagingOnSitePassword=${CCDC_LICENSING_CONFIGURATION}
+      - PlatformSecurity__Issuer=${PUBLIC_URI}
+      - PlatformSecurity__DisableSSLValidation=true
+    depends_on:
+      - message-broker

sample.env

@@ -3,11 +3,17 @@
 # More information can be found in section 14.8 in the release notes for the desktop CSD portfolio
 CCDC_LICENSING_CONFIGURATION=la-code;123456-123456-123456-123456-123456-123456;
 
-# Password for local database
-CSD_DB_CONNECTIONSTRING=Server=database-server;Port=5432;Database=csd-database;User Id=postgres;Password=passwordhere
-IDENTITY_DB_CONNECTIONSTRING=Server=database-server;Port=5432;Database=csd-identity;User Id=postgres;Password=passwordhere
+# Configure the server, port, user ID, and password to match your Postgres server
+DB_CONNECTIONSTRING=Server=database-server;Port=5432;User Id=postgres;Password=passwordhere
+
+# The database the CSD backup has been restored to
+CSD_DATABASE=csd-database
+
+# Database for the v4 login system. This will be created at application startup if it doesn't already exist. 
+IDENTITY_DATABASE=csd-identity
+
+# Defines the base URL for the platform
+PUBLIC_URI=https://csd-software.local
 
 #You don't need to change this unless you want to run on a different port
 PLATFORM_PORT=443
-
-PUBLIC_URI=https://csd-software.local