New SEAMM package database

0. seamm-ff-util changed from 2024.6.27 to 2025.1.21

Author: GitHub Action

environments/SEAMM_packages.json

@@ -1,7 +1,7 @@
 {
     "conceptdoi": "10.5281/zenodo.7789853",
-    "date": "2025-03-11T05:23:25.609356+00:00",
-    "doi": "10.5281/zenodo.15003875",
+    "date": "2025-03-12T05:23:19.801135+00:00",
+    "doi": "10.5281/zenodo.15009814",
     "metadata": {
         "3rd-party plug-in": {
             "pyxtal-step": {
@@ -16,6 +16,10 @@
                         "comment": "libsqlite version 3.49.1 is badly broken!",
                         "pinning": "!=3.49.1",
                         "repository": "conda-forge"
+                    },
+                    "pubchempy": {
+                        "comment": "Currently ommitted from molsystem requirements...",
+                        "repository": "conda-forge"
                     }
                 },
                 "description": "The molecular/crystal data model for SEAMM",
@@ -427,7 +431,7 @@
             "channel": "conda-forge",
             "description": "Utility routines for handling forcefields in SEAMM",
             "type": "Core package",
-            "version": "2024.6.27"
+            "version": "2025.1.21"
         },
         "seamm-geometric": {
             "channel": "pypi",

environments/seamm.yml

@@ -24,6 +24,8 @@ dependencies:
 
   # molsystem: libsqlite version 3.49.1 is badly broken!
   - libsqlite!=3.49.1
+  # molsystem: Currently ommitted from molsystem requirements...
+  - pubchempy
   # seamm: pip cannot install, so insist on conda
   - psutil
   # seamm-dashboard: Dashboard fails with version 3, so...

environments/seamm_pinned.yml

@@ -11,7 +11,7 @@ dependencies:
   - seamm==2025.3.4
   - seamm-dashboard==2024.6.2
   - seamm-datastore==2024.6.2
-  - seamm-ff-util==2024.6.27
+  - seamm-ff-util==2025.1.21
   - seamm-installer==2025.3.9
   - seamm-util==2024.8.22
   - seamm-widgets==2024.10.10
@@ -24,6 +24,8 @@ dependencies:
 
   # molsystem: libsqlite version 3.49.1 is badly broken!
   - libsqlite!=3.49.1
+  # molsystem: Currently ommitted from molsystem requirements...
+  - pubchempy
   # seamm: pip cannot install, so insist on conda
   - psutil
   # seamm-dashboard: Dashboard fails with version 3, so...