diff --git a/environments/SEAMM_packages.json b/environments/SEAMM_packages.json index a418248..2d69430 100644 --- a/environments/SEAMM_packages.json +++ b/environments/SEAMM_packages.json @@ -99,7 +99,7 @@ "channel": "pypi", "description": "A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4", "type": "MolSSI plug-in", - "version": "2024.1.11" + "version": "2024.2.29" }, "pyxtal-step": { "channel": "pypi", @@ -159,7 +159,7 @@ "channel": "pypi", "description": "Classes to execute background codes for SEAMM", "type": "Core package", - "version": "2024.2.15" + "version": "2024.2.29" }, "seamm-ff-util": { "channel": "conda-forge", diff --git a/environments/seamm.yml b/environments/seamm.yml index b7090a9..5eb03cd 100644 --- a/environments/seamm.yml +++ b/environments/seamm.yml @@ -28,7 +28,7 @@ dependencies: # PyPi packages - pip: # Core packages - - seamm-exec==2024.2.15 + - seamm-exec==2024.2.29 - seamm-jobserver==2024.1.17 # MolSSI plug-ins @@ -47,7 +47,7 @@ dependencies: - mopac-step==2024.2.10.1 - packmol-step==2024.1.16 - properties-step==2023.7.31 - - psi4-step==2024.1.11 + - psi4-step==2024.2.29 - qcarchive-step==2023.3.30 - quickmin-step==2023.11.15 - rdkit-step==2023.2.22