New SEAMM package database

0. psi4-step changed from 2024.7.30 to 2024.10.5
molssi-seamm · Oct 6, 2024 · 9f8f353 · 9f8f353
1 parent 7c13288
commit 9f8f353
Show file tree

Hide file tree

Showing 2 changed files with 4 additions and 4 deletions.
diff --git a/environments/SEAMM_packages.json b/environments/SEAMM_packages.json
@@ -1,7 +1,7 @@
 {
  "conceptdoi": "10.5281/zenodo.7789853",
- "date": "2024-10-02T05:38:21.321657+00:00",
- "doi": "10.5281/zenodo.13879575",
+ "date": "2024-10-06T05:36:39.606298+00:00",
+ "doi": "10.5281/zenodo.13894554",
  "packages": {
  "control-parameters-step": {
  "channel": "pypi",
@@ -109,7 +109,7 @@
  "channel": "pypi",
  "description": "A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4",
  "type": "MolSSI plug-in",
- "version": "2024.7.30"
+ "version": "2024.10.5"
  },
  "pyxtal-step": {
  "channel": "pypi",

diff --git a/environments/seamm_pinned.yml b/environments/seamm_pinned.yml
@@ -53,7 +53,7 @@ dependencies:
  - mopac-step==2024.8.21
  - packmol-step==2024.7.25
  - properties-step==2023.7.31
- - psi4-step==2024.7.30
+ - psi4-step==2024.10.5
  - qcarchive-step==2023.3.30
  - quickmin-step==2024.5.7
  - rdkit-step==2023.2.22