GROMACS development

12/04/2020

11:34 AM GROMACS Revision a75b25ce: Add CI jobs for gmxapi 0.3

11:34 AM GROMACS Revision 2544d91c: Update rules for release-2021.

Add .rules:merge-requests:release-2021.
Update gmxapi 0.2 MR pipeline jobs not to trigger for `master`.

11:34 AM GROMACS Revision bd591e6f: Separate job script files for gmxapi package versions.

This should help minimize confusion or merge conflicts across GROMACS
release branches.

12/03/2020

09:53 AM GROMACS Revision 1c4cf1f6: Improve gmxapi C++ test coverage for failed mdrun.

Make sure that we test the C++ API to confirm that non-zero mdrun exit
codes are detected when using SIGINT. No addit...

12/02/2020

11:36 AM GROMACS Revision d05188bb: One argument per line for long function signatures.

Fixes #3833

11/30/2020

09:07 AM GROMACS Revision d4a61f7a: Explicitly use xunit2 schema for pytest output.

Resolves #3717

11/27/2020

03:24 PM GROMACS Revision 1adc55c4: Import setuptools early to suppress distutils warning.

Also apply PEP-8 formatting corrections.
Fixes #3715

11/23/2020

05:04 PM GROMACS Revision d9c847c4: Look for the various possible names of the gromacs package.

Refs #3777

11/16/2020

06:22 PM GROMACS Revision 7738a4ab: gmxapi versioning updates.

Begin development for gmxapi 0.3

11/13/2020

12:37 PM GROMACS Revision f310554a: Be more explicit about build-tree-only dependencies.

Use the BUILD_INTERFACE CMake generator expression to improve
self-documentation and to prevent build-tree-only depen...