Skip to content

Commit 95fd127

Browse files
committed
pick the correct mdareporter version
1 parent c040c8e commit 95fd127

File tree

1 file changed

+3
-1
lines changed

1 file changed

+3
-1
lines changed

pyproject.toml

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -121,7 +121,9 @@ strict = [
121121
strict-openff = [
122122
"mdanalysis==2.9.0",
123123
"monty==2025.3.3",
124-
"openmm-mdanalysis-reporter==0.1.0",
124+
#"openmm-mdanalysis-reporter==0.1.0",
125+
"mdareporter @ git+https://github.com/sef43/openmm-mdanalysis-reporter.git@86e8bdffb63bbe9b13430ba97e2a67b85c996048",
126+
"h5py==3.13",
125127
"openmm==8.1.1",
126128
"pymatgen==2025.4.20", # TODO: open ff is extremely sensitive to pymatgen version
127129
"mdanalysis==2.9.0"

0 commit comments

Comments
 (0)