New SEAMM package database

0. packmol-step changed from 2024.6.21.2 to 2024.6.29
1. forcefield-step changed from 2024.1.10 to 2024.6.29.1

environments/SEAMM_packages.json

@@ -1,7 +1,7 @@
 {
     "conceptdoi": "10.5281/zenodo.7789853",
-    "date": "2024-06-29T05:37:09.802234+00:00",
-    "doi": "10.5281/zenodo.12590418",
+    "date": "2024-06-30T05:34:53.458361+00:00",
+    "doi": "10.5281/zenodo.12597117",
     "packages": {
         "control-parameters-step": {
             "channel": "pypi",
@@ -49,7 +49,7 @@
             "channel": "pypi",
             "description": "A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.",
             "type": "MolSSI plug-in",
-            "version": "2024.1.10"
+            "version": "2024.6.29.1"
         },
         "from-smiles-step": {
             "channel": "pypi",
@@ -97,7 +97,7 @@
             "channel": "pypi",
             "description": "A SEAMM plug-in for building periodic boxes of fluid using Packmol",
             "type": "MolSSI plug-in",
-            "version": "2024.6.21.2"
+            "version": "2024.6.29"
         },
         "properties-step": {
             "channel": "pypi",

environments/seamm_pinned.yml

@@ -44,14 +44,14 @@ dependencies:
     - diffusivity-step==2024.6.3
     - energy-scan-step==2024.5.23
     - fhi-aims-step==2024.1.19
-    - forcefield-step==2024.1.10
+    - forcefield-step==2024.6.29.1
     - from-smiles-step==2023.11.10
     - gaussian-step==2024.6.5
     - geometry-analysis-step==2023.1.14
     - lammps-step==2024.6.28.1
     - loop-step==2023.11.9
     - mopac-step==2024.5.14.2
-    - packmol-step==2024.6.21.2
+    - packmol-step==2024.6.29
     - properties-step==2023.7.31
     - psi4-step==2024.5.23.3
     - qcarchive-step==2023.3.30