New SEAMM package database

0. seamm-ase added to SEAMM
1. seamm-util changed from 2024.7.25 (conda-forge) to 2024.8.1 (pypi)

Author: GitHub Action

environments/SEAMM_packages.json

@@ -1,7 +1,7 @@
 {
     "conceptdoi": "10.5281/zenodo.7789853",
-    "date": "2024-08-01T05:33:52.102690+00:00",
-    "doi": "10.5281/zenodo.13147972",
+    "date": "2024-08-03T05:33:51.956968+00:00",
+    "doi": "10.5281/zenodo.13186123",
     "packages": {
         "control-parameters-step": {
             "channel": "pypi",
@@ -153,6 +153,12 @@
             "type": "Core package",
             "version": "2024.7.28"
         },
+        "seamm-ase": {
+            "channel": "pypi",
+            "description": "Connector between SEAMM and ASE",
+            "type": "3rd-party plug-in",
+            "version": "2024.8.2.1"
+        },
         "seamm-dashboard": {
             "channel": "conda-forge",
             "description": "The Web Dashboard for SEAMM (Simulation Environment for Atomistic and Molecular Simulations).",
@@ -190,10 +196,10 @@
             "version": "2024.3.12"
         },
         "seamm-util": {
-            "channel": "conda-forge",
+            "channel": "pypi",
             "description": "seamm_util",
             "type": "Core package",
-            "version": "2024.7.25"
+            "version": "2024.8.1"
         },
         "seamm-widgets": {
             "channel": "conda-forge",

environments/seamm.yml

@@ -21,7 +21,6 @@ dependencies:
   - seamm-datastore
   - seamm-ff-util
   - seamm-installer
-  - seamm-util
   - seamm-widgets
 
     # MolSSI plug-ins
@@ -33,6 +32,7 @@ dependencies:
     # Core packages
     - seamm-exec
     - seamm-jobserver
+    - seamm-util
 
     # MolSSI plug-ins
     - control-parameters-step
@@ -64,4 +64,5 @@ dependencies:
     - torchani-step
 
     # 3rd-party plug-ins
-    - pyxtal-step
+    - pyxtal-step
+    - seamm-ase

environments/seamm_pinned.yml

@@ -23,7 +23,6 @@ dependencies:
   - seamm-datastore==2024.6.2
   - seamm-ff-util==2024.6.27
   - seamm-installer==2024.4.22
-  - seamm-util==2024.7.25
   - seamm-widgets==2024.7.21
 
     # MolSSI plug-ins
@@ -35,6 +34,7 @@ dependencies:
     # Core packages
     - seamm-exec==2024.7.25
     - seamm-jobserver==2024.3.12
+    - seamm-util==2024.8.1
 
     # MolSSI plug-ins
     - control-parameters-step==2023.11.15
@@ -66,4 +66,5 @@ dependencies:
     - torchani-step==2024.5.12.1
 
     # 3rd-party plug-ins
-    - pyxtal-step==2021.7.29
+    - pyxtal-step==2021.7.29
+    - seamm-ase==2024.8.2.1