From 0421339921ec70bfb23f6877f58ac678583da55c Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Wed, 20 Sep 2023 12:41:01 -0700
Subject: [PATCH 1/2] test newest dgl version

---
 devtools/conda-envs/espaloma.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/devtools/conda-envs/espaloma.yaml b/devtools/conda-envs/espaloma.yaml
index 4865f11c..1cb9e543 100644
--- a/devtools/conda-envs/espaloma.yaml
+++ b/devtools/conda-envs/espaloma.yaml
@@ -19,7 +19,7 @@ dependencies:
   - openmmforcefields >=0.11.2
   - tqdm
   - pydantic <2  # We need our deps to fix this
-  - dgl =1.1.0
+  - dgl =1.1.2
   # Testing
   - pytest
   - pytest-cov

From 90a14e8ea914f7922ab64ac8cef510a639967340 Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Wed, 20 Sep 2023 14:46:31 -0700
Subject: [PATCH 2/2] don't use new qcportal

---
 devtools/conda-envs/espaloma.yaml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/devtools/conda-envs/espaloma.yaml b/devtools/conda-envs/espaloma.yaml
index 1cb9e543..35f0709d 100644
--- a/devtools/conda-envs/espaloma.yaml
+++ b/devtools/conda-envs/espaloma.yaml
@@ -20,6 +20,7 @@ dependencies:
   - tqdm
   - pydantic <2  # We need our deps to fix this
   - dgl =1.1.2
+  - qcportal =0.15.8
   # Testing
   - pytest
   - pytest-cov