Merge branch 'master' of https://github.com/choderalab/espaloma

choderalab · Mar 28, 2022 · 7a8576e · 7a8576e
2 parents 66ed106 + 2ca38fb
commit 7a8576e
Showing 1 changed file with 3 additions and 2 deletions.
diff --git a/devtools/conda-envs/espaloma.yaml b/devtools/conda-envs/espaloma.yaml
@@ -19,8 +19,9 @@ dependencies:
   - smirnoff99Frosst
   - openmm
   - openmmforcefields
+  - tqdm
   # Pytorch
-  - pytorch
+  - pytorch>=1.8.0
   - dgl
   # Testing
   - pytest
@@ -29,6 +30,6 @@ dependencies:
   - nose
   - nose-timer
   - coverage
-  - qcportal
+  - qcportal>=0.15.0
   - sphinx
   - sphinx_rtd_theme