General

Profile

Eric Irrgang

  • Registered on: 10/04/2016
  • Last connection: 10/13/2018

Issues

Projects

Activity

10/19/2018

09:40 AM GROMACS Revision eb041329: Documentation bug in gmxapi/context.h
Documentation for launch() refers to old behavior. Removed mentioned of
a persistent Status object.
Change-Id: I40ba...

10/15/2018

04:19 PM GROMACS Feature #2585: Infrastructure supporting external API
gmxapi milestones chart has been updated to reflect completed milestones (green) and in-progress milestones (blue). T...
04:16 PM GROMACS Task #2698 (New): gmxapi documentation integration
For GROMACS 2019, gmxapi doxygen documentation is built with separate targets:
* @gmxapi_cppdocs@ for installed he...
03:44 PM GROMACS Task #2623 (Resolved): Allow extensible MDModules and forceProviders.
The gmx::MDModules object created during launch of Mdrunner now owns a list of MDModule objects through their IMDModu...
03:39 PM GROMACS Feature #2586 (In Progress): Versioned libgmxapi target for build, install, headers, docs
gmxapi library is now built by default (when possible) and headers are installed. Various aspects need further develo...
03:34 PM GROMACS Feature #2587 (In Progress): Provide Context (e.g. to runner code) to manage client and runtime environment
For GROMACS 2019, we have a gmxapi::Context to manage the environment of client code, and a gmx::SimulationContext to...
03:29 PM GROMACS Feature #2605 (Resolved): Library access to MD runner
In addition to establishing Mdrunner creation through a builder, the legacy user options comprising most of the mdrun...
03:12 PM GROMACS Feature #2610 (Resolved): API status object
gmxapi::Status has been introduced in a minimal form. In general, more useful return values should be produced that d...
02:22 PM GROMACS Revision 7347b922: Release notes for restraint module and gmxapi.
Describe new features supporting gmxapi client code and runtime binding
of restraint code. Add "gmxapi external API" ...
10:23 AM GROMACS Bug #2688: ccache detection is static
Isn't this how CMake find_package generally works? The module not loaded shouldn't be a problem in module systems tha...

Also available in: Atom