New SEAMM package database

0. seamm changed from 2024.6.27 to 2024.7.21
1. seamm-widgets changed from 2024.5.1 to 2024.7.21
2. diffusivity-step changed from 2024.7.15 to 2024.7.21
3. lammps-step changed from 2024.6.28.1 to 2024.7.21.1

Author: GitHub Action

environments/SEAMM_packages.json

@@ -1,7 +1,7 @@
 {
     "conceptdoi": "10.5281/zenodo.7789853",
-    "date": "2024-07-16T05:32:38.734309+00:00",
-    "doi": "10.5281/zenodo.12747707",
+    "date": "2024-07-22T05:34:24.577034+00:00",
+    "doi": "10.5281/zenodo.12792449",
     "packages": {
         "control-parameters-step": {
             "channel": "pypi",
@@ -31,7 +31,7 @@
             "channel": "pypi",
             "description": "A SEAMM plug-in for Diffusivity",
             "type": "MolSSI plug-in",
-            "version": "2024.7.15"
+            "version": "2024.7.21"
         },
         "energy-scan-step": {
             "channel": "pypi",
@@ -73,7 +73,7 @@
             "channel": "pypi",
             "description": "A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.",
             "type": "MolSSI plug-in",
-            "version": "2024.6.28.1"
+            "version": "2024.7.21.1"
         },
         "loop-step": {
             "channel": "pypi",
@@ -151,7 +151,7 @@
             "channel": "conda-forge",
             "description": "The core of the SEAMM environment and graphical interface.",
             "type": "Core package",
-            "version": "2024.6.27"
+            "version": "2024.7.21"
         },
         "seamm-dashboard": {
             "channel": "conda-forge",
@@ -199,7 +199,7 @@
             "channel": "conda-forge",
             "description": "seamm_widgets",
             "type": "Core package",
-            "version": "2024.5.1"
+            "version": "2024.7.21"
         },
         "set-cell-step": {
             "channel": "pypi",

environments/seamm_pinned.yml

@@ -18,13 +18,13 @@ dependencies:
 # Core packages
   - molsystem==2024.6.21
   - reference-handler==0.9.1
-  - seamm==2024.6.27
+  - seamm==2024.7.21
   - seamm-dashboard==2024.6.2
   - seamm-datastore==2024.6.2
   - seamm-ff-util==2024.6.27
   - seamm-installer==2024.4.22
   - seamm-util==2024.7.15
-  - seamm-widgets==2024.5.1
+  - seamm-widgets==2024.7.21
 
     # MolSSI plug-ins
 
@@ -41,14 +41,14 @@ dependencies:
     - crystal-builder-step==2022.7.31
     - custom-step==2023.12.12
     - dftbplus-step==2024.4.24
-    - diffusivity-step==2024.7.15
+    - diffusivity-step==2024.7.21
     - energy-scan-step==2024.5.23
     - fhi-aims-step==2024.1.19
     - forcefield-step==2024.6.30
     - from-smiles-step==2023.11.10
     - gaussian-step==2024.6.5
     - geometry-analysis-step==2023.1.14
-    - lammps-step==2024.6.28.1
+    - lammps-step==2024.7.21.1
     - loop-step==2023.11.9
     - mopac-step==2024.5.14.2
     - packmol-step==2024.6.29