Ecosyste.ms: Issues

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GitHub / SSAGESLabs/openmm-dlext issues and pull requests

#26 - Segfault in Position wrapping

Issue - State: closed - Opened by InnocentBug about 2 years ago - 2 comments
Labels: bug

#25 - Preparation for trunk merge queue

Pull Request - State: closed - Opened by InnocentBug about 2 years ago

#24 - Update versions

Pull Request - State: closed - Opened by nrouizem over 2 years ago

#23 - remove direct openmm import

Pull Request - State: open - Opened by InnocentBug over 2 years ago - 1 comment
Labels: bug

#22 - Updating version number and dlpack requirement

Pull Request - State: closed - Opened by nrouizem over 2 years ago

#21 - Bump dependencies

Pull Request - State: closed - Opened by pabloferz over 2 years ago

#20 - Add setup.cfg and pyproject.toml

Pull Request - State: closed - Opened by nrouizem over 2 years ago

#19 - Trunk

Pull Request - State: closed - Opened by InnocentBug over 2 years ago - 9 comments
Labels: enhancement

#18 - Leverage OpenMM's pre- and postcomputations

Issue - State: open - Opened by pabloferz over 2 years ago
Labels: enhancement, peformance

#17 - Do not ignore `includeForces` in `calForcesAndEnergy`

Pull Request - State: closed - Opened by pabloferz over 2 years ago

#15 - Bump minimum version of CMake required to 3.16

Pull Request - State: closed - Opened by pabloferz almost 3 years ago

#14 - CMake minimum version

Issue - State: closed - Opened by johnaparker almost 3 years ago - 3 comments

#13 - Support installation through conda

Issue - State: closed - Opened by pabloferz almost 3 years ago - 1 comment

#12 - Eliminate deprecation warning for OpenMM 7.6

Pull Request - State: closed - Opened by pabloferz almost 3 years ago

#11 - Support for OpenMM v7.6

Pull Request - State: closed - Opened by pabloferz almost 3 years ago - 7 comments

#10 - Support for OpenMM v7.6

Issue - State: closed - Opened by johnaparker almost 3 years ago - 1 comment

#9 - correct docker base branch

Pull Request - State: closed - Opened by InnocentBug almost 3 years ago - 1 comment

#8 - Make callback take the step count as argument

Pull Request - State: closed - Opened by pabloferz almost 3 years ago

#7 - add Dockerfile

Pull Request - State: closed - Opened by InnocentBug almost 3 years ago
Labels: enhancement

#6 - Change the `callback` in `DLExt::ForceIml` to take an integer argument

Issue - State: closed - Opened by pabloferz about 3 years ago - 1 comment

#5 - Add missing pybind11 header

Pull Request - State: closed - Opened by pabloferz over 3 years ago

#4 - Fix linking issues in MacOS

Pull Request - State: closed - Opened by pabloferz over 3 years ago

#3 - Prevent adding forces to different System instances

Pull Request - State: closed - Opened by pabloferz over 3 years ago

#2 - non-quiet search for cuda if necessary

Pull Request - State: closed - Opened by InnocentBug over 3 years ago - 1 comment

#1 - auto detect openmm without conda

Pull Request - State: closed - Opened by InnocentBug over 3 years ago