Python package

Workflow runs for Python package

• Add opt-in engine diagnostic reporting

  completed successfully:
  Python package#211:Pull request#48openedbyniklashoelter
  feat/run-diagnostics

  Oct 18, 20265m 1s
  More actions for workflow run 211

• Merge pull request #46 from avnoordenne/fix/cli-config-handling

  completed successfully:
  Python package#210:Commit32504bdpushedbyniklashoelter
  master

  Oct 18, 20264m 25s
  More actions for workflow run 210

• Add Claude Code skill for running gpuma

  completed successfully:
  Python package#209:Pull request#47openedbyavnoordenne
  avnoordenne:feat/claude-skill

  Oct 15, 20264m 43s
  More actions for workflow run 209

• Fix CLI config handling: --config on convert/generate, and missing config files

  completed successfully:
  Python package#208:Pull request#46openedbyavnoordenne
  avnoordenne:fix/cli-config-handling

  Oct 15, 20264m 31s
  More actions for workflow run 208

• Prepare 0.8.1: bump version

  completed successfully:
  Python package#207:Commit29cbfbapushedbyniklashoelter
  master

  Oct 9, 20265m 7s
  More actions for workflow run 207

• Merge pull request #43 from avnoordenne/fix/whole-job-probe-margin

  completed successfully:
  Python package#206:Commitc35ff48pushedbyniklashoelter
  master

  Oct 5, 20264m 31s
  More actions for workflow run 206

• Merge pull request #44 from avnoordenne/fix/uma-n-atoms-batching

  completed successfully:
  Python package#205:Commitf21c8a1pushedbyniklashoelter
  master

  Oct 5, 20264m 34s
  More actions for workflow run 205

• Merge pull request #45 from avnoordenne/fix/chunked-edge-scalers-v0.8

  completed successfully:
  Python package#204:Commitb78c7e7pushedbyniklashoelter
  master

  Oct 5, 20264m 37s
  More actions for workflow run 204

• optimizer: measure n_edges scalers in memory-bounded chunks

  completed successfully:
  Python package#203:Pull request#45openedbyavnoordenne
  avnoordenne:fix/chunked-edge-scalers-v0.8

  Oct 5, 20264m 41s
  More actions for workflow run 203

• optimizer: size UMA batches by n_atoms, configurable via memory_scales_with

  completed successfully:
  Python package#202:Pull request#44openedbyavnoordenne
  avnoordenne:fix/uma-n-atoms-batching

  Oct 5, 20264m 26s
  More actions for workflow run 202

• optimizer: keep the probe's margin when the whole job fits

  completed successfully:
  Python package#201:Pull request#43openedbyavnoordenne
  avnoordenne:fix/whole-job-probe-margin

  Oct 5, 20264m 28s
  More actions for workflow run 201

• Merge pull request #42 from niklashoelter/fix/autobatcher-probe-cost

  completed successfully:
  Python package#200:Commit5ae01f1pushedbyniklashoelter
  master

  Sep 29, 20264m 23s
  More actions for workflow run 200

• optimizer: skip the autobatcher probe when the whole job fits

  completed successfully:
  Python package#199:Pull request#42openedbyniklashoelter
  fix/autobatcher-probe-cost

  Sep 29, 20264m 24s
  More actions for workflow run 199

• Prepare 0.8.0: bump version

  completed successfully:
  Python package#198:Commit3a6ded1pushedbyniklashoelter
  master

  Sep 25, 20264m 46s
  More actions for workflow run 198

• Merge pull request #39 from avnoordenne/fix/fairchem-local-checkpoint…

  completed successfully:
  Python package#197:Commit9eab9f9pushedbyniklashoelter
  master

  Sep 25, 20264m 10s
  More actions for workflow run 197

• models: accept a local Fairchem checkpoint in batch mode

  completed successfully:
  Python package#196:Pull request#39synchronizebyniklashoelter
  avnoordenne:fix/fairchem-local-checkpoint-in-batch

  Sep 25, 20264m 35s
  More actions for workflow run 196

• Merge pull request #41 from avnoordenne/fix/sequential-drops-failed-s…

  completed successfully:
  Python package#195:Commitec56d38pushedbyniklashoelter
  master

  Sep 25, 20265m 39s
  More actions for workflow run 195

• Merge pull request #40 from avnoordenne/fix/autobatcher-memory-ceiling

  completed successfully:
  Python package#194:Commit294b16dpushedbyniklashoelter
  master

  Sep 25, 20265m 29s
  More actions for workflow run 194

• Merge pull request #38 from avnoordenne/fix/d3-calculator-double-eval…

  completed successfully:
  Python package#193:Commit68bd583pushedbyniklashoelter
  master

  Sep 25, 20264m 59s
  More actions for workflow run 193

• Merge pull request #37 from avnoordenne/fix/cli-and-io-papercuts

  completed successfully:
  Python package#192:Commite1a338apushedbyniklashoelter
  master

  Sep 25, 20264m 34s
  More actions for workflow run 192

• Merge pull request #36 from avnoordenne/fix/model-cache-key-drops-modal

  completed successfully:
  Python package#191:Commit58ea99dpushedbyniklashoelter
  master

  Sep 25, 20264m 40s
  More actions for workflow run 191

• Merge pull request #35 from avnoordenne/feat/symmetric-embed-prune

  completed successfully:
  Python package#190:Commit20bfab3pushedbyniklashoelter
  master

  Sep 25, 20268m 9s
  More actions for workflow run 190

• Merge pull request #34 from avnoordenne/chore/torch-sim-0.6.2

  completed successfully:
  Python package#189:Commit098188epushedbyniklashoelter
  master

  Sep 25, 20264m 47s
  More actions for workflow run 189

• optimizer: report failed structures as None instead of dropping them

  completed successfully:
  Python package#188:Pull request#41openedbyavnoordenne
  avnoordenne:fix/sequential-drops-failed-structures

  Sep 25, 20264m 44s
  More actions for workflow run 188

• optimizer: size the autobatcher by the GPU, not by the input

  completed successfully:
  Python package#187:Pull request#40openedbyavnoordenne
  avnoordenne:fix/autobatcher-memory-ceiling

  Sep 25, 20264m 57s
  More actions for workflow run 187