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lines changed Original file line number Diff line number Diff line change 9999
100100 test-openff :
101101 # prevent this action from running on forks
102- if : github.repository == 'materialsproject/atomate2'
102+ # if: github.repository == 'materialsproject/atomate2'
103103
104104 services :
105105 local_mongodb :
Original file line number Diff line number Diff line change @@ -121,7 +121,8 @@ strict = [
121121strict-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+ " openmm-mdanalysis-reporter @ git+https://github.com/sef43/openmm-mdanalysis-reporter.git@86e8bdffb63bbe9b13430ba97e2a67b85c996048"
125126 "openmm==8.1.1",
126127 "pymatgen==2024.11.13", # TODO: open ff is extremely sensitive to pymatgen version
127128 "mdanalysis==2.9.0"
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