New SEAMM package database

0. molsystem changed from 2024.6.21 (conda-forge) to 2024.8.5 (pypi)

Author: GitHub Action

environments/SEAMM_packages.json

@@ -1,7 +1,7 @@
 {
     "conceptdoi": "10.5281/zenodo.7789853",
-    "date": "2024-08-05T05:36:49.915992+00:00",
-    "doi": "10.5281/zenodo.13218854",
+    "date": "2024-08-06T05:37:11.860021+00:00",
+    "doi": "10.5281/zenodo.13234105",
     "packages": {
         "control-parameters-step": {
             "channel": "pypi",
@@ -82,10 +82,10 @@
             "version": "2024.7.30"
         },
         "molsystem": {
-            "channel": "conda-forge",
+            "channel": "pypi",
             "description": "molsystem",
             "type": "Core package",
-            "version": "2024.6.21"
+            "version": "2024.8.5"
         },
         "mopac-step": {
             "channel": "pypi",

environments/seamm.yml

@@ -14,7 +14,6 @@ dependencies:
     # qcportal requires apsw, which needs compiling and hence problems.
   - qcportal
 
-  - molsystem
   - reference-handler
   - seamm
   - seamm-dashboard
@@ -31,6 +30,7 @@ dependencies:
     # PyPi packages
   - pip:
     # Core packages
+    - molsystem
     - seamm-exec
     - seamm-jobserver
 

environments/seamm_pinned.yml

@@ -16,7 +16,6 @@ dependencies:
 
 
 # Core packages
-  - molsystem==2024.6.21
   - reference-handler==0.9.1
   - seamm==2024.7.28
   - seamm-dashboard==2024.6.2
@@ -33,6 +32,7 @@ dependencies:
     # PyPi packages
   - pip:
     # Core packages
+    - molsystem==2024.8.5
     - seamm-exec==2024.7.25
     - seamm-jobserver==2024.3.12