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Test against lastest OpenFF release instead of GAFF #48

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ijpulidos opened this issue Jun 4, 2024 · 0 comments
Open

Test against lastest OpenFF release instead of GAFF #48

ijpulidos opened this issue Jun 4, 2024 · 0 comments
Milestone
0.2.0

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@ijpulidos
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Due to the compatibility issues with the GAFF parameters in latest ambertools, and openmmforcefields temporarily dropping support for it. See for example openmm/openmmforcefields#327 . It is probably advisable to change the tests to use the latest OpenFF release instead of relying on GAFF to have a fully set of tests working in the CI.
@ijpulidos ijpulidos added this to the 0.1.0 release milestone Jun 4, 2024
@ijpulidos ijpulidos modified the milestones: 0.1.0 release, 0.1.2 Jul 17, 2024
@ijpulidos ijpulidos modified the milestones: 0.1.2, 0.2.0 Aug 6, 2024
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