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Resolve gmxapi versioning with respect to GROMACS releases and packaging #188

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eirrgang opened this issue Nov 21, 2018 · 2 comments
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gmxapi pertains to this repository and the Python module support gromacs pertains specifically to GROMACS library support. See kassonlab/gromacs-gmxapi sample_restraint pertains specifically to kassonlab/sample_restraint

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@eirrgang
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eirrgang commented Nov 21, 2018

gmxapi 0.0.8 and GROMACS 2020 probably won't be compatible with 0.0.7 client code.

According to https://redmine.gromacs.org/issues/2764 GROMACS will probably change the reported compatibility in gmxapi-config.cmake from SameMajorVersion to ExactVersion, making it the client's responsibility to determine compatibility.

kassonlab/gmxapi and kassonlab/sample_restraint can be updated to check for explicit gmxapi versions in reverse chronological order until we have a clearer compatibility guarantee. We can issue "tweak" releases on the release-0.0.7 branch to handle necessary compatibility tweaks.

Update: All gmxapi software for API levels > 0.0.7 is officially maintained in the main GROMACS repository. The current repository (as well as kassonlab/gromacs-gmxapi and gmxapi/gmxapi) will undergo some rearrangement to tie 0.0.7 software to GROMACS 2019 while keeping these GitHub repositories pointing to something useful.

  • Equate gmxapi 0.0.7 with GROMACS 2019. (PR Tie gmxapi 0.0.7 to GROMACS 2019 #225)
  • Update docs and merge gmxapi devel branch to master.
  • Bump 0.0.7 patch release number and merge to release-0_0_7.
  • Replace kassonlab/gmxapi master branch with the Kasson Lab GROMACS fork (the sandbox-gmxapi branch from GROMACS Gerrit repository).
  • Update docs at kassonlab/gromacs-gmxapi to clarify that it is an old development repository; users should go to kassonlab/gmxapi, GROMACS 2019, or GROMACS 2020+ depending on what they are looking for.
  • Update GROMACS python_packaging/documentation/ or https://gerrit.gromacs.org/c/gromacs/+/11605 when rearranging repositories.
  • Update kassonlab/sample_restraint to a stable referent of gmxapi 0.0.7 / GROMACS 2019 with pointers to GROMACS 2020+.
@eirrgang eirrgang added gromacs pertains specifically to GROMACS library support. See kassonlab/gromacs-gmxapi sample_restraint pertains specifically to kassonlab/sample_restraint gmxapi pertains to this repository and the Python module support labels Nov 21, 2018
@eirrgang eirrgang self-assigned this Nov 21, 2018
@eirrgang eirrgang added this to Needs triage in 0.0.7 via automation Nov 21, 2018
@eirrgang eirrgang moved this from Needs triage to High priority in 0.0.7 Dec 21, 2018
@eirrgang
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We can allow that 0.0.7 only works with GROMACS 2019 and make this issue pertain only to versions 0.0.8 and higher.

@eirrgang eirrgang added this to To do in 0.0.7.2 via automation Dec 21, 2018
@eirrgang eirrgang removed this from High priority in 0.0.7 Dec 21, 2018
eirrgang added a commit to eirrgang/gmxapi that referenced this issue Jun 24, 2019
eirrgang added a commit to eirrgang/gmxapi that referenced this issue Jun 24, 2019
@eirrgang
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gmxapi development is moving to the GROMACS repository. This repository will continue to house gmxapi packages through 0.0.7.x, which will be tied to GROMACS 2019. I am updating the development branch and planning to merge it finally to 'master'. The 'release-0.0.7' branch will be allowed to lag behind master for stability, but merges will be staged directly against 'master' from now on.

eirrgang added a commit to eirrgang/gmxapi that referenced this issue Jun 24, 2019
eirrgang added a commit to eirrgang/gmxapi that referenced this issue Jun 24, 2019
@eirrgang eirrgang changed the title Explicitly handle 0.0.7 versus 0.0.8 package version in CMake Resolve gmxapi versioning with respect to GROMACS releases and packaging Jun 28, 2019
eirrgang added a commit to eirrgang/gmxapi that referenced this issue Jun 29, 2019
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