This patch release includes small fixes identified from the 0.5.0 release, as well as changes needed due to the migration of alchemiscale
to the OpenFreeEnergy GitHub org. We now also include openfe
1.1.0 in deployment environments.
Please note that new deployable Docker images for both server
and compute
are now published to GCR under the openfreeenergy
namespace instead of the openforcefield
namespace.
What's Changed
- Set default
claim_limit
back to 1 by @dotsdl in #289 - Switch pip installs to conda packages where possible, add restart policies to docker-compose containers by @dotsdl in #288
- Added UNWIND to cancel tasks query by @ianmkenney in #299
- Deploy openfe 1.1.0, update deployment apparatus for OpenFreeEnergy namespace by @dotsdl in #308
- Update tutorial notebook for openfe 1.0, latest cinnabar by @dotsdl in #311
- Prepping prod environments for v0.5.1 release by @dotsdl in #309
Full Changelog: v0.5.0...v0.5.1