New SEAMM package database

0. seamm changed from 2024.8.17 to 2024.8.21 1. loop-step changed from 2024.8.16 to 2024.8.21 2. mopac-step changed from 2024.8.17 to 2024.8.21
molssi-seamm · Aug 22, 2024 · 4cdc684 · 4cdc684
1 parent a0a0f98
commit 4cdc684
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Showing 2 changed files with 8 additions and 8 deletions.
diff --git a/environments/SEAMM_packages.json b/environments/SEAMM_packages.json
@@ -1,7 +1,7 @@
 {
     "conceptdoi": "10.5281/zenodo.7789853",
-    "date": "2024-08-19T05:35:48.355145+00:00",
-    "doi": "10.5281/zenodo.13340579",
+    "date": "2024-08-22T05:35:24.961625+00:00",
+    "doi": "10.5281/zenodo.13358140",
     "packages": {
         "control-parameters-step": {
             "channel": "pypi",
@@ -79,7 +79,7 @@
             "channel": "pypi",
             "description": "A SEAMM plug-in which provides loops in flowcharts.",
             "type": "MolSSI plug-in",
-            "version": "2024.8.16"
+            "version": "2024.8.21"
         },
         "molsystem": {
             "channel": "conda-forge",
@@ -91,7 +91,7 @@
             "channel": "pypi",
             "description": "A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC",
             "type": "MolSSI plug-in",
-            "version": "2024.8.17"
+            "version": "2024.8.21"
         },
         "packmol-step": {
             "channel": "pypi",
@@ -151,7 +151,7 @@
             "channel": "conda-forge",
             "description": "The core of the SEAMM environment and graphical interface.",
             "type": "Core package",
-            "version": "2024.8.17"
+            "version": "2024.8.21"
         },
         "seamm-ase": {
             "channel": "pypi",

diff --git a/environments/seamm_pinned.yml b/environments/seamm_pinned.yml
@@ -18,7 +18,7 @@ dependencies:
 # Core packages
   - molsystem==2024.8.17
   - reference-handler==0.9.1
-  - seamm==2024.8.17
+  - seamm==2024.8.21
   - seamm-dashboard==2024.6.2
   - seamm-datastore==2024.6.2
   - seamm-ff-util==2024.6.27
@@ -49,8 +49,8 @@ dependencies:
     - gaussian-step==2024.7.27
     - geometry-analysis-step==2023.1.14
     - lammps-step==2024.7.31
-    - loop-step==2024.8.16
-    - mopac-step==2024.8.17
+    - loop-step==2024.8.21
+    - mopac-step==2024.8.21
     - packmol-step==2024.7.25
     - properties-step==2023.7.31
     - psi4-step==2024.7.30