New SEAMM package database

0. seamm changed from pypi to conda-forge
1. molsystem changed from pypi to conda-forge

environments/SEAMM_packages.json

@@ -1,7 +1,7 @@
 {
     "conceptdoi": "10.5281/zenodo.7789853",
-    "date": "2024-08-18T05:37:20.279041+00:00",
-    "doi": "10.5281/zenodo.13337187",
+    "date": "2024-08-19T05:35:48.355145+00:00",
+    "doi": "10.5281/zenodo.13340579",
     "packages": {
         "control-parameters-step": {
             "channel": "pypi",
@@ -82,7 +82,7 @@
             "version": "2024.8.16"
         },
         "molsystem": {
-            "channel": "pypi",
+            "channel": "conda-forge",
             "description": "molsystem",
             "type": "Core package",
             "version": "2024.8.17"
@@ -148,7 +148,7 @@
             "version": "0.9.1"
         },
         "seamm": {
-            "channel": "pypi",
+            "channel": "conda-forge",
             "description": "The core of the SEAMM environment and graphical interface.",
             "type": "Core package",
             "version": "2024.8.17"

environments/seamm.yml

@@ -14,7 +14,9 @@ dependencies:
     # qcportal requires apsw, which needs compiling and hence problems.
   - qcportal
 
+  - molsystem
   - reference-handler
+  - seamm
   - seamm-dashboard
   - seamm-datastore
   - seamm-ff-util
@@ -29,8 +31,6 @@ dependencies:
     # PyPi packages
   - pip:
     # Core packages
-    - molsystem
-    - seamm
     - seamm-exec
     - seamm-jobserver
 

environments/seamm_pinned.yml

@@ -16,7 +16,9 @@ dependencies:
 
 
 # Core packages
+  - molsystem==2024.8.17
   - reference-handler==0.9.1
+  - seamm==2024.8.17
   - seamm-dashboard==2024.6.2
   - seamm-datastore==2024.6.2
   - seamm-ff-util==2024.6.27
@@ -31,8 +33,6 @@ dependencies:
     # PyPi packages
   - pip:
     # Core packages
-    - molsystem==2024.8.17
-    - seamm==2024.8.17
     - seamm-exec==2024.7.25
     - seamm-jobserver==2024.3.12