GitLab

* Add draft GHA-based CI for Linux

* Fix events

* Dup key

* Fix path

* Update env vars

* More fixes

* Fix env vars again

* add doxygen

* add sudo

* Typo

* upgrade CUDA

* escape newlines

* more backslashes

* fix CUDA_APT

* more env vars fixes

* fix missing file

* acumulate env_vars

* build python wrappers only if requested

* add pytest

* use $GITHUB_ENV

https://docs.github.com/en/free-pro-team@latest/actions/reference/workflow-commands-for-github-actions#environment-files

* use ${GITHUB_WORKSPACE}

* Pin older gromacs

* add windows

* Provide default values for unbound vars

* fixes

* this is powershell not cmd

* update envs

* win fix

* make windows use cmd

* Change install prefix

* fixes

* better env files

* Increase timeout threshold

* set xcode to 10.x

* specify action version

* fix sdk in macos

* split jobs a bit more

* build wrappers even if tests failed for c...

* Add a Jenkinsfile to drive a pipeline

* Also tweaks the installation script for Jenkins to be more amenable to
running other variants in parallel
* Restrict packaging script to only accept Python 2.7, since I think
that's long been the minimum supported Python version
* Allow run-ctest.py to run tests in parallel (and take advantage of
that in the Jenkins tests).

* CUDA -> CUDA_VERSION

* Jenkins will automatically post result back to GitHub.

Not need to have a separate step do that explicitly.

* Run as a login shell.

* Force looking for CUDA node.

* Make sure we load conda module.

* Start building in a docker slave -- much nicer!

* Try to fix up the installation a little.

* Fix more build issues.

* More build debugging.

* Oops -- recursive :-o

* Put opencl lib in library path

* Try 9.2

* Fix library path

* More updates to Jenkins build recipes.

* Try a new (simpler?) approach with building

* Oops...