New SEAMM package database

0. gaussian-step changed from 2024.6.5 to 2024.7.27
1. reference-handler changed from conda-forge to pypi

environments/SEAMM_packages.json

@@ -1,7 +1,7 @@
 {
     "conceptdoi": "10.5281/zenodo.7789853",
-    "date": "2024-07-26T05:34:20.589357+00:00",
-    "doi": "10.5281/zenodo.12890258",
+    "date": "2024-07-28T05:34:57.034292+00:00",
+    "doi": "10.5281/zenodo.13118054",
     "packages": {
         "control-parameters-step": {
             "channel": "pypi",
@@ -61,7 +61,7 @@
             "channel": "pypi",
             "description": "A SEAMM plugin for A SEAMM plug-in for Gaussian",
             "type": "MolSSI plug-in",
-            "version": "2024.6.5"
+            "version": "2024.7.27"
         },
         "geometry-analysis-step": {
             "channel": "pypi",
@@ -142,7 +142,7 @@
             "version": "2023.11.16"
         },
         "reference-handler": {
-            "channel": "conda-forge",
+            "channel": "pypi",
             "description": "no description given",
             "type": "Core package",
             "version": "0.9.1"

environments/seamm.yml

@@ -15,7 +15,6 @@ dependencies:
   - qcportal
 
   - molsystem
-  - reference-handler
   - seamm
   - seamm-dashboard
   - seamm-datastore
@@ -31,6 +30,7 @@ dependencies:
     # PyPi packages
   - pip:
     # Core packages
+    - reference-handler
     - seamm-exec
     - seamm-jobserver
 

environments/seamm_pinned.yml

@@ -17,7 +17,6 @@ dependencies:
 
 # Core packages
   - molsystem==2024.6.21
-  - reference-handler==0.9.1
   - seamm==2024.7.21
   - seamm-dashboard==2024.6.2
   - seamm-datastore==2024.6.2
@@ -33,6 +32,7 @@ dependencies:
     # PyPi packages
   - pip:
     # Core packages
+    - reference-handler==0.9.1
     - seamm-exec==2024.7.25
     - seamm-jobserver==2024.3.12
 
@@ -46,7 +46,7 @@ dependencies:
     - fhi-aims-step==2024.1.19
     - forcefield-step==2024.6.30
     - from-smiles-step==2023.11.10
-    - gaussian-step==2024.6.5
+    - gaussian-step==2024.7.27
     - geometry-analysis-step==2023.1.14
     - lammps-step==2024.7.25
     - loop-step==2023.11.9