Release v1.0.0

[shuds13]

Release v1.0.0

Target: Sept 25th 2023

Checks before merge:

• Check repo size (remove branches with data files)
• Decision on dependencies pyaml/tomli
• Docs: Investigate links to Sphinx anchors/symbols in tabs not working (JL)
• Determine if README docs badge should point to main

SH:

• Add gpu_env_fallback option to platform. Add gpu_env_fallback platform attribute #1050
• make sure executor works standalone
• Optimize kill_cancelled_sims Storing/using last_started and last_ended #1043 / Performance/improve perform #1063
• Support num_procs/num_gpus for generator Add gen options for num_procs and num_gpus #1068
• Support MPI_runner option in exe.submit (e.g., when using env_script) Add mpi_runner_type submit option to executor #1054
• Allow oversubpscription num_procs (gen_specs["out"] option). Allow oversubscription with num_procs (gen) option #1058
• Update forces examples
  - Make persistent forces the default for both simple and GPU (inc. update tutorials)
  - Update to OO interface
• Document resource_sets, usg_gpus, num_procs, num_gpus in docs for gen specs
• Sort out the issue of links into tabs - esp. platform_specs:
  - Put platform_specs in a platform guide under resource manager (should do that anyway).
• Add final_gen_send option that returns last sim results to gen. Replace final_fields with final send #1086

JL:

• Move many/most examples to OO interface Refactor regression tests into Ensemble() interface #1014
• Allow reuse of workflow&ensemble dir Option to allow reuse of an ensemble/workflow directory #1028 Feature/allow ensemble dir overwrite #1041
• Remove workerID suffix from sim/gen output directories Feature/allow ensemble dir overwrite #1041
• Separate ensemble.log and libE_stats.txt for diff workflows directories. With multiple workflow directories in an instance, only first ensemble.log is updated #1027 Feature/allow ensemble dir overwrite #1041
• Resolve PETSc/OpenMPI issue Refactor/petsc openmpi fix #1064
• Performance safe_mode default to False (with general debugging FAQ to put on (along with DEBUG logging) swap defaults to False of kill_canceled_sims and safe_mode #1053
• Add output option for specifying no. of digits in libE output dirs (requested by Optimas) Pad calc_dirs with zeros #1052 / Make default libE_specs["calc_dir_id_width"] = 4 #1066
• Look at pinning dependencies for releases Testing/pin deps #1056
• Prevent mpi4py validation running during local comms (when using OO interface) Fix mpi4py / MPI comms/checks overwriting local-comms environment #1065
• Additional docs refactors (including quickstart example) Docs/Pre v1 propose refactor #992
• Better handling of Ensemble.add_random_streams and ensemble.persis_info Better ensemble.add_random_streams docstring, don't erase persis_info #1074
• Ensemble.out can be accessed as Ensemble.outputs Change Sim, Gen, AllocSpecs["out"] to ["outputs"], plus alias #1075
• Obtain executor instance from libE_info (4th parameter) in user-functions Feature/set exctr to ensemble libeinfo #1078

Changes to defaults:

• safe_mode defaults to False
• kill_canceled_sims defaults to False

External:

• Update template for HPC tests
• Optimas testing.

Not done / postponed

• Allow workers to submit user functions via Balsam #801
• Update to be compatible with Pydantic 1 and 2, if possible. (JLN Note: Probably not possible)
• Allow decorating/labeling user functions with input/output attributes Decorate user functions with immutable attributes #1011

[jlnav]

Presumably closed by #1095 !