From 0b095a73685163461039fdf53074b8ad21ffe531 Mon Sep 17 00:00:00 2001
From: Paul Saxe <paul@thesaxes.net>
Date: Thu, 23 May 2024 18:57:25 -0400
Subject: [PATCH 1/2] Added helper codes for dispersion, etc.

---
 psi4_step/data/seamm-psi4.yml | 12 +++++++++---
 1 file changed, 9 insertions(+), 3 deletions(-)

diff --git a/psi4_step/data/seamm-psi4.yml b/psi4_step/data/seamm-psi4.yml
index ce0b0ce..adede56 100644
--- a/psi4_step/data/seamm-psi4.yml
+++ b/psi4_step/data/seamm-psi4.yml
@@ -1,10 +1,16 @@
 name: seamm-psi4
 channels:
   - conda-forge
-  - conda-forge/label/libint_dev
 dependencies:
   - python
 
-    # Executables, etc.
-  - geometric
   - psi4
+
+  # Optional packages
+  - basis_set_exchange
+  - dftd3-python>=1.0
+  - dftd4-python
+  - gcp-correction
+  - geometric
+  - pymdi
+  - toml # req'd with dftd4-python

From b6f9b43c17aa44d6d03078960b39d06f47b9821e Mon Sep 17 00:00:00 2001
From: Paul Saxe <paul@thesaxes.net>
Date: Thu, 23 May 2024 18:59:07 -0400
Subject: [PATCH 2/2] Added helper codes for dispersion, etc.

---
 HISTORY.rst | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/HISTORY.rst b/HISTORY.rst
index 57cfcfb..2e328b5 100644
--- a/HISTORY.rst
+++ b/HISTORY.rst
@@ -1,6 +1,10 @@
 =======
 History
 =======
+2024.5.23.3 -- Added auxialliary codes that help Psi4
+   * Psi4 uses codes like DFTD4 and DFTD4 for parts of e.g. dispersion
+     calculations. This release adds them to the Conda install SEAMM uses for Psi4.
+     
 2024.5.23.2 -- Bugfix: incorrect name for gradients
    * There was a typo in the name for the gradients, such that they could not be output
      to Results.json.