* Use PocketFFT instead of FFTW
* Minor cleanup
* Use PocketFFT instead of fftpack for reference platform
* Remove FFTW as a dependency
* Converted a test case to use PocketFFT
* Fixed an incorrect comment
* Top level Python module is now "openmm"
* Updated module names in examples
* Updated module names in documentation
* Updated module in CI scripts
* Added deprecation warning
* 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 -- fix Jenkinsfile syntax.
* Test CPU and Reference together.
* Avoid stashing -- not necessary really.
* Print env (Debug).
* try a new way to get env vars set up.
* More test shuffling.
* Load conda module.
* Fix docker build and test script.
* Fix up install.
* More tweaks to the build.
* Do python tests in Docker container
* Separate CUDA and OpenCL platforms and install make in the docker
container
* reorder arguments to ctest so the retesting only does the failed tests (and can't get overwritten by anything else)
* Add LD_LIBRARY_PATH to find OpenMM libs (it should be found :(...)
* Trying this...
* Seems that some stuff runs inside docker and some doesn't??
* Move all execution to a shell script for the dockerfile install
* Add fixes for Python 3.7
* Revert "Add fixes for Python 3.7"
This reverts commit ef826edbba.
* Python 3.7 turned StopIteration into RuntimeError, as per PEP 479.
A quick-fix for the PDBx library is to catch both StopIteration *and*
RuntimeError to preserve the old behavior.
* Make sure we clean first.
* More thorough cleaning
* Stop trying to do it in a container. >:o
* Consolidate, and go back to docker.
This is irritating.
* Add some debugging commands and temporarily stop testing GPU platforms.
* Oops :-[]
* whoami doesn't work in the docker container :(
* Stop trying to find libdl
* Need to install cython.
* whoami fails -- try id instead.
* Clean up install script now that I have the basics working
Also restrict CPU runs to nodes with the "docker" label. This allows
exclusion from nodes where docker isn't creating a suitable environment
(most likely due to irritating permission issues).
