simjecture 0.5.1__tar.gz → 0.5.2__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (749) hide show
  1. {simjecture-0.5.1 → simjecture-0.5.2}/.github/workflows/ci.yml +7 -1
  2. {simjecture-0.5.1 → simjecture-0.5.2}/.github/workflows/release.yml +19 -2
  3. {simjecture-0.5.1 → simjecture-0.5.2}/CHANGELOG.md +98 -0
  4. {simjecture-0.5.1 → simjecture-0.5.2}/CITATION.cff +2 -2
  5. {simjecture-0.5.1 → simjecture-0.5.2}/PKG-INFO +45 -5
  6. {simjecture-0.5.1 → simjecture-0.5.2}/README.md +40 -4
  7. {simjecture-0.5.1 → simjecture-0.5.2}/THIRD_PARTY_NOTICES.md +8 -0
  8. simjecture-0.5.2/capabilities/iter-pack-1.0.json +32 -0
  9. {simjecture-0.5.1 → simjecture-0.5.2}/capabilities/optab-1.3.1.json +5 -2
  10. {simjecture-0.5.1 → simjecture-0.5.2}/capabilities/warpx-cuda-openpmd-26.07.json +5 -1
  11. {simjecture-0.5.1 → simjecture-0.5.2}/docs/conf.py +1 -1
  12. simjecture-0.5.2/docs/development/releasing.md +53 -0
  13. {simjecture-0.5.1 → simjecture-0.5.2}/docs/getting-started/first-run.md +14 -11
  14. {simjecture-0.5.1 → simjecture-0.5.2}/docs/getting-started/installation.md +85 -22
  15. simjecture-0.5.2/docs/getting-started/research-workspace.md +267 -0
  16. {simjecture-0.5.1 → simjecture-0.5.2}/docs/getting-started/web-interface.md +15 -7
  17. simjecture-0.5.2/docs/how-to/continuation-steering.md +97 -0
  18. simjecture-0.5.2/docs/how-to/iter-pack.md +75 -0
  19. {simjecture-0.5.1 → simjecture-0.5.2}/docs/how-to/restricted-containers.md +18 -2
  20. {simjecture-0.5.1 → simjecture-0.5.2}/docs/index.md +10 -2
  21. simjecture-0.5.2/docs/research/continuation-steering-rc3.md +109 -0
  22. simjecture-0.5.2/docs/testing/iter-pack-acceptance.md +120 -0
  23. simjecture-0.5.2/docs/testing/rc2-installation-acceptance.md +99 -0
  24. simjecture-0.5.2/docs/testing/rc3-continuation-acceptance.md +74 -0
  25. {simjecture-0.5.1 → simjecture-0.5.2}/integrations/dsh/package-lock.json +2 -2
  26. {simjecture-0.5.1 → simjecture-0.5.2}/integrations/dsh/package.json +1 -1
  27. {simjecture-0.5.1 → simjecture-0.5.2}/pyproject.toml +7 -1
  28. simjecture-0.5.2/scripts/install-workspace.sh +254 -0
  29. simjecture-0.5.2/scripts/launch-workspace.sh +10 -0
  30. simjecture-0.5.2/scripts/package_workspace.py +69 -0
  31. simjecture-0.5.2/scripts/prepare_runtime.py +9 -0
  32. simjecture-0.5.2/scripts/register_cuda_runtime.py +43 -0
  33. simjecture-0.5.2/scripts/runtime_environment.sh +13 -0
  34. simjecture-0.5.2/scripts/vendor_workspace.py +73 -0
  35. simjecture-0.5.2/scripts/verify_iter_pack.py +92 -0
  36. simjecture-0.5.2/scripts/verify_workspace_install.py +136 -0
  37. {simjecture-0.5.1 → simjecture-0.5.2}/skills/eos/references/local-deployment.md +8 -5
  38. {simjecture-0.5.1 → simjecture-0.5.2}/skills/eos/scripts/bootstrap_atomec.sh +5 -32
  39. {simjecture-0.5.1 → simjecture-0.5.2}/skills/eos/scripts/bootstrap_maneos.sh +20 -31
  40. {simjecture-0.5.1 → simjecture-0.5.2}/skills/eos/scripts/bootstrap_singularity_eos.sh +35 -33
  41. {simjecture-0.5.1 → simjecture-0.5.2}/skills/eos/scripts/singularity_query.cpp +1 -0
  42. simjecture-0.5.2/skills/flash-mhd/references/local-deployment.md +165 -0
  43. {simjecture-0.5.1 → simjecture-0.5.2}/skills/flash-mhd/scripts/bootstrap_flash.sh +2 -23
  44. simjecture-0.5.2/skills/iter-pack/SKILL.md +42 -0
  45. simjecture-0.5.2/skills/iter-pack/examples/diagnostics_demo.py +185 -0
  46. simjecture-0.5.2/skills/iter-pack/examples/jorek_demo.py +48 -0
  47. simjecture-0.5.2/skills/iter-pack/manifest.json +8 -0
  48. simjecture-0.5.2/skills/iter-pack/references/diagnostics.md +75 -0
  49. simjecture-0.5.2/skills/iter-pack/references/dina.md +41 -0
  50. simjecture-0.5.2/skills/iter-pack/references/jorek.md +50 -0
  51. simjecture-0.5.2/skills/iter-pack/references/solps.md +45 -0
  52. simjecture-0.5.2/skills/iter-pack/scripts/bootstrap.py +103 -0
  53. simjecture-0.5.2/skills/iter-pack/scripts/bootstrap.sh +5 -0
  54. simjecture-0.5.2/skills/iter-pack/scripts/requirements.txt +10 -0
  55. {simjecture-0.5.1 → simjecture-0.5.2}/skills/opacity/examples/optab_runtime_smoke.py +11 -0
  56. {simjecture-0.5.1 → simjecture-0.5.2}/skills/opacity/references/local-deployment.md +11 -7
  57. {simjecture-0.5.1 → simjecture-0.5.2}/skills/opacity/scripts/bootstrap_optab.sh +30 -73
  58. simjecture-0.5.2/skills/opacity/scripts/fetch_optab_data.py +58 -0
  59. {simjecture-0.5.1 → simjecture-0.5.2}/skills/warpx/references/local-cuda-deployment.md +35 -10
  60. {simjecture-0.5.1 → simjecture-0.5.2}/skills/warpx/scripts/bootstrap_local_cuda.sh +44 -18
  61. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/__init__.py +1 -1
  62. simjecture-0.5.2/src/conjecture_solver/agent_skills.py +35 -0
  63. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/agent_supervisor.py +87 -6
  64. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/cli.py +13 -0
  65. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/deployment.py +165 -111
  66. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/execution.py +21 -0
  67. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/research_audit.py +30 -0
  68. simjecture-0.5.2/src/conjecture_solver/research_continuation.py +279 -0
  69. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/research_oversight.py +21 -1
  70. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/research_service.py +33 -2
  71. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/research_supervisor.py +48 -5
  72. simjecture-0.5.2/src/conjecture_solver/runtime_bootstrap.py +182 -0
  73. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/study.py +55 -3
  74. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/study_launch.py +18 -2
  75. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/study_status.py +16 -1
  76. simjecture-0.5.2/src/conjecture_solver/web/activity.py +189 -0
  77. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/web/application.py +13 -0
  78. simjecture-0.5.2/src/conjecture_solver/web/inventory.py +161 -0
  79. simjecture-0.5.2/src/conjecture_solver/web/jobs.py +292 -0
  80. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/web/server.py +245 -4
  81. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/web/static/app.js +8 -1
  82. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/web/static/index.html +3 -0
  83. {simjecture-0.5.1 → simjecture-0.5.2}/src/conjecture_solver/web/static/markdown.js +15 -3
  84. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/highlight-11.11.1.min.js +1244 -0
  85. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/highlight-LICENSE +29 -0
  86. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/highlight-github-dark.css +10 -0
  87. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/LICENSE.md +7 -0
  88. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.2SO23SX3.js +72 -0
  89. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.3H2FQERJ.js +25 -0
  90. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.3MSWQ3RG.js +20 -0
  91. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.3NKIHICW.js +12 -0
  92. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.4ZAKP7NY.js +12 -0
  93. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.5VKLVAP2.js +330 -0
  94. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.5ZSSLK3M.js +68 -0
  95. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.BKE5EYM3.js +274 -0
  96. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.CV35G2DF.js +305 -0
  97. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.D5HA4OFX.js +189 -0
  98. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.DITA2S5A.js +80 -0
  99. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.DL7HG4WM.js +23 -0
  100. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.EFUXUR2V.js +34 -0
  101. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.GDWSLLNY.js +85 -0
  102. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.H23DVATU.js +36 -0
  103. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.HGBRCPUS.js +55 -0
  104. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.HJQBZY2G.js +372 -0
  105. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.HOKYDFUG.js +124 -0
  106. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.IOZQCLLD.js +26 -0
  107. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.JB5Y2AN3.js +34 -0
  108. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.JHZRD2LV.js +60 -0
  109. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.K5Q2EBKV.js +77 -0
  110. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.KH7MR2OK.js +98 -0
  111. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.KKI7M5DP.js +158 -0
  112. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.KWDPKKFO.js +46 -0
  113. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.L2PH6XPF.js +47 -0
  114. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.L6CIKOFQ.js +55 -0
  115. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.L7UUCOPZ.js +318 -0
  116. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.LBLI4KS5.js +353 -0
  117. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.MEATLWHD.js +1 -0
  118. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.MO2KS3JW.js +239 -0
  119. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.MQODJ75V.js +13 -0
  120. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.NDZDW54F.js +287 -0
  121. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.O6IZ4I7T.js +34 -0
  122. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.PX3HMKF7.js +12 -0
  123. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.PZAN6FPN.js +32 -0
  124. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.QVJVDGCX.js +364 -0
  125. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.R7QX4M6R.js +47 -0
  126. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.RKPV5RWB.js +85 -0
  127. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.RMZ7BVDM.js +10 -0
  128. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.RPQJAXXR.js +21 -0
  129. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.RWNXKUCF.js +66 -0
  130. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.SKLR37OM.js +13 -0
  131. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.SLTXS4GR.js +248 -0
  132. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.TLFIX76K.js +340 -0
  133. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.UDRJMWVZ.js +55 -0
  134. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.UMPSPH77.js +45 -0
  135. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.VC3BPUZJ.js +12 -0
  136. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.WDIIGUNP.js +12 -0
  137. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.WLKYECLX.js +858 -0
  138. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.WYNTFJHW.js +116 -0
  139. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.YBFCQDTA.js +13 -0
  140. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.YDQCS2HK.js +12 -0
  141. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.YLIESRP2.js +377 -0
  142. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.YPRC5XZF.js +101 -0
  143. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/chunks/chunk.ZWQCGLB5.js +12 -0
  144. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/components/drawer/drawer.js +49 -0
  145. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/components/spinner/spinner.js +15 -0
  146. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/components/split-panel/split-panel.js +20 -0
  147. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/components/tab/tab.js +15 -0
  148. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/components/tab-group/tab-group.js +47 -0
  149. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/components/tab-panel/tab-panel.js +15 -0
  150. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/styles/color/palettes/default.css +146 -0
  151. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/styles/layers.css +21 -0
  152. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/webawesome-3.14.0/styles/themes/default.css +373 -0
  153. simjecture-0.5.2/src/conjecture_solver/web/static/vendor/workspace-vendors.json +14 -0
  154. simjecture-0.5.2/src/conjecture_solver/web/static/workspace-components.js +7 -0
  155. simjecture-0.5.2/src/conjecture_solver/web/static/workspace-monitor.js +267 -0
  156. simjecture-0.5.2/src/conjecture_solver/web/static/workspace-panels.js +197 -0
  157. simjecture-0.5.2/src/conjecture_solver/web/static/workspace-rich.js +153 -0
  158. simjecture-0.5.2/src/conjecture_solver/web/static/workspace-theme.js +32 -0
  159. simjecture-0.5.2/src/conjecture_solver/web/static/workspace.css +3227 -0
  160. simjecture-0.5.2/src/conjecture_solver/web/static/workspace.html +716 -0
  161. simjecture-0.5.2/src/conjecture_solver/web/static/workspace.js +1672 -0
  162. simjecture-0.5.2/src/conjecture_solver/web/workspace.py +1750 -0
  163. simjecture-0.5.2/src/conjecture_solver/workspace_agent.py +863 -0
  164. simjecture-0.5.2/src/conjecture_solver/workspace_sessions.py +25 -0
  165. simjecture-0.5.2/tests/test_agent_skills.py +46 -0
  166. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_agent_supervisor.py +32 -0
  167. simjecture-0.5.2/tests/test_continuation_browser.py +160 -0
  168. simjecture-0.5.2/tests/test_continuation_chat.py +118 -0
  169. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_deployment.py +57 -18
  170. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_dsh_bundle.py +1 -1
  171. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_dsh_engine.py +1 -1
  172. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_execution_backends.py +25 -0
  173. simjecture-0.5.2/tests/test_iter_pack.py +90 -0
  174. simjecture-0.5.2/tests/test_research_continuation.py +215 -0
  175. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_research_oversight.py +36 -0
  176. simjecture-0.5.2/tests/test_runtime_bootstrap.py +73 -0
  177. simjecture-0.5.2/tests/test_workspace.py +949 -0
  178. simjecture-0.5.2/tests/test_workspace_browser.py +739 -0
  179. simjecture-0.5.2/tests/test_workspace_installer.py +103 -0
  180. simjecture-0.5.2/tests/test_workspace_sessions.py +185 -0
  181. simjecture-0.5.2/tests/test_workspace_simulations.py +179 -0
  182. {simjecture-0.5.1 → simjecture-0.5.2}/uv.lock +366 -2
  183. simjecture-0.5.1/docs/development/releasing.md +0 -32
  184. simjecture-0.5.1/skills/flash-mhd/references/local-deployment.md +0 -73
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  698. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_autonomous_research.py +0 -0
  699. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_benchmark.py +0 -0
  700. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_campaign.py +0 -0
  701. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_campaign_jobs.py +0 -0
  702. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_campaign_kernel.py +0 -0
  703. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_control.py +0 -0
  704. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_corrective_audit.py +0 -0
  705. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_domain_plugins.py +0 -0
  706. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_frontier_token_usage.py +0 -0
  707. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_frontier_workflow.py +0 -0
  708. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_ledger.py +0 -0
  709. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_lifecycle.py +0 -0
  710. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_literature.py +0 -0
  711. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_llm.py +0 -0
  712. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_mcp_server.py +0 -0
  713. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_models.py +0 -0
  714. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_mvp_agent.py +0 -0
  715. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_mvp_claims.py +0 -0
  716. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_mvp_control.py +0 -0
  717. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_mvp_monitor.py +0 -0
  718. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_mvp_pause.py +0 -0
  719. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_mvp_status_watch.py +0 -0
  720. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_oneshot.py +0 -0
  721. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_orchestration.py +0 -0
  722. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_outbox.py +0 -0
  723. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_parameters.py +0 -0
  724. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_pic.py +0 -0
  725. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_proposals.py +0 -0
  726. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_provider_retry.py +0 -0
  727. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_recorded_demo.py +0 -0
  728. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_research_client.py +0 -0
  729. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_research_guidance.py +0 -0
  730. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_research_journal.py +0 -0
  731. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_research_notebook.py +0 -0
  732. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_research_service.py +0 -0
  733. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_role_assignments.py +0 -0
  734. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_schema_export.py +0 -0
  735. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_scientific_review.py +0 -0
  736. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_search.py +0 -0
  737. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_semantics.py +0 -0
  738. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_study.py +0 -0
  739. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_study_interface.py +0 -0
  740. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_tui.py +0 -0
  741. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_tui_claim_views.py +0 -0
  742. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_warpx.py +0 -0
  743. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_warpx_analysis.py +0 -0
  744. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_warpx_campaign.py +0 -0
  745. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_warpx_openpmd_xz.py +0 -0
  746. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_warpx_qualification.py +0 -0
  747. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_warpx_reduced_energy.py +0 -0
  748. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_web.py +0 -0
  749. {simjecture-0.5.1 → simjecture-0.5.2}/tests/test_workspace_images.py +0 -0
@@ -50,7 +50,9 @@ jobs:
50
50
  - name: Install uv
51
51
  run: python -m pip install uv
52
52
  - name: Install locked environment
53
- run: uv sync --frozen --extra tui --extra dsh
53
+ run: uv sync --frozen --extra tui --extra dsh --extra workspace --group browser
54
+ - name: Install browser test runtime
55
+ run: uv run playwright install --with-deps chromium
54
56
  - uses: actions/setup-node@v4
55
57
  with:
56
58
  node-version: "22.23.1"
@@ -64,6 +66,10 @@ jobs:
64
66
  run: uv run ruff check .
65
67
  - name: Test
66
68
  run: uv run pytest --cov=conjecture_solver --cov-report=term-missing
69
+ - name: Validate packaged workspace install
70
+ run: |
71
+ uv run python scripts/package_workspace.py --output dist
72
+ uv run python scripts/verify_workspace_install.py --release-dir dist --work-dir /tmp/simjecture-installer-validation
67
73
  - name: Reproduce planted benchmark
68
74
  run: uv run simjecture benchmark kinetic-sufficiency --assert-falsified
69
75
  - name: Reproduce independent PIC benchmark
@@ -15,7 +15,7 @@ jobs:
15
15
  name: pypi
16
16
  url: https://pypi.org/p/simjecture
17
17
  permissions:
18
- contents: read
18
+ contents: write
19
19
  id-token: write
20
20
  steps:
21
21
  - uses: actions/checkout@v7
@@ -40,7 +40,9 @@ jobs:
40
40
  --ro-bind /lib64 /lib64 \
41
41
  /usr/bin/true
42
42
  - name: Install locked test environment
43
- run: uv sync --frozen --extra tui --extra dsh
43
+ run: uv sync --frozen --extra tui --extra dsh --extra workspace --group browser
44
+ - name: Install browser test runtime
45
+ run: uv run playwright install --with-deps chromium
44
46
  - uses: actions/setup-node@v4
45
47
  with:
46
48
  node-version: "22.23.1"
@@ -69,5 +71,20 @@ jobs:
69
71
  PY
70
72
  - name: Build source and wheel distributions
71
73
  run: uv build
74
+ - name: Package and verify the one-command workspace installer
75
+ run: |
76
+ uv run python scripts/package_workspace.py --output dist
77
+ uv run python scripts/verify_workspace_install.py --release-dir dist --work-dir /tmp/simjecture-installer-validation
78
+ - name: Attach installable release assets
79
+ env:
80
+ GH_TOKEN: ${{ github.token }}
81
+ run: gh release upload "$GITHUB_REF_NAME" dist/install.sh dist/SHA256SUMS dist/*-workspace.tar.gz --clobber
82
+ - name: Collect Python distributions
83
+ run: |
84
+ mkdir pypi-dist
85
+ cp dist/*.whl pypi-dist/
86
+ find dist -maxdepth 1 -name '*.tar.gz' ! -name '*-workspace.tar.gz' -exec cp {} pypi-dist/ \;
72
87
  - name: Publish with PyPI Trusted Publishing
73
88
  uses: pypa/gh-action-pypi-publish@release/v1
89
+ with:
90
+ packages-dir: pypi-dist/
@@ -2,6 +2,104 @@
2
2
 
3
3
  This project follows semantic versioning. Dates use ISO 8601.
4
4
 
5
+ ## 0.5.2 — 2026-09-29
6
+
7
+ Stable release of the conversation-first research workspace tested in rc1/rc2,
8
+ plus continuation, steering, review recovery and the ITER diagnostics pack.
9
+ Minimal mode remains the default; structured/frontier modes remain selectable.
10
+ The versioned installer preserves existing research data and older program folders.
11
+
12
+ - Add an optional ITER diagnostics/data pack with pinned CHERAB/Raysect,
13
+ CHERAB-ITER/IMAS extensions and IMAS tools. Install/check from the CLI or GUI;
14
+ run a visible, monitored numerical demo with plots. Add source-based agent
15
+ guidance and separate setup entries for JOREK, SOLPS-ITER and DINA-PS.
16
+
17
+ - Offer Prepare directly or Prepare with agent from the continuation dialog.
18
+ Chat preparation carries parent context across turns and lets the agent draft
19
+ the brief and select inherited files without losing lineage or instruments.
20
+ - Add Continue investigation and Send guidance to study cards and the experiment
21
+ monitor. Review a linked phase's brief, selected inherited files, model and new
22
+ budget before launch; retain the original study and evidence status.
23
+ - Snapshot continuation context with verified hashes and immutable parent lineage.
24
+ Add CLI continuation and advisory steering; show queued/checkpoint delivery in
25
+ the web interface and include guidance in independent review packets.
26
+ - Detect empty/truncated built-in review replies, record finish reasons and usage,
27
+ and use bounded recovery with a larger output allocation and a DeepSeek
28
+ non-thinking retry. Back off repeated invalid oversight without granting approval.
29
+ - Reconcile expired deadlines/dead supervisors in live status and write final
30
+ reports when a supervisor exits through an external error.
31
+
32
+ ## 0.5.2rc2 (preview) — 2026-09-27
33
+
34
+ - Provision scientific compilers, MPI, HDF5 and other prerequisites in managed
35
+ environments for the included tools. Preserve diagnostic logs and validate the
36
+ installed runtime using the selected execution backend before reporting success.
37
+ - Verify all five one-click tools from empty runtime directories, real agent-assisted
38
+ FLASH and WarpX CUDA builds, GPU execution, and browser uploads of licensed source.
39
+ - Handle restricted root installations with a dedicated non-root account, safe
40
+ launchers, failed-install retry and upgrade rollback.
41
+ - Make the autonomous research screen follow preparation, proposal, execution and
42
+ results. Return finished reports to the interactive agent without interrupting
43
+ active work; preserve queued delivery across restarts and link explanations to evidence.
44
+ - Support follow-up studies in the same conversation with separate briefs and reports.
45
+ Remove duplicate navigation labels and collapse routine workspace metadata.
46
+ - Accept source archive uploads up to 64 MiB. Keep installation commands separate
47
+ from simulations, support checks for registered custom tools, and reject runtimes
48
+ whose host paths or interpreter symlinks cannot work in the execution backend.
49
+
50
+ - Keep installation skills readable while runtimes are incomplete; retry the
51
+ pinned Singularity-EOS source fetch after transient transport failures and
52
+ populate its required ports-of-call dependency. Package a relocatable Python
53
+ runtime when using uv-managed Python, avoiding broken sandbox symlinks. Incomplete runtimes with missing
54
+ declared identity files are not listed as installed.
55
+ - Require an explicit completion handoff after DeepSeek text-only progress replies,
56
+ continuing tools instead of marking promises as completed answers. Bound repeated
57
+ protocol failures and retain usage accounting for completion-check requests.
58
+ - Move routine workspace controls and execution status into the left sidebar,
59
+ remove the redundant top bar, and make execution warnings dismissible with
60
+ expandable diagnostics. Keep conversation-blocking notices prominent.
61
+ - Use draggable sidebar edges and compact chevron tabs instead of text hide/show
62
+ buttons. Drag to the outer edge to collapse, pull or click the tab to reopen,
63
+ and retain panel widths and collapsed state across reloads.
64
+ - Replace source-path dialogs for FLASH and WarpX CUDA with **Install with agent**,
65
+ opening prepared setup conversations that reference the bundled deployment skills.
66
+ - Prefer Bubblewrap, with a checked PRoot cooperative fallback for namespace-restricted
67
+ hosts running under a dedicated non-root account. Show a dismissible sidebar warning
68
+ about the lack of filesystem/network security isolation; retain explicit backend
69
+ choices and immutable study execution modes. Use the selected backend for tool checks.
70
+ - Show failed tool installations directly on catalogue cards, including tools
71
+ that are not yet installed. Bootstrap checksummed Micromamba for WarpX CPU
72
+ and separate solver provisioning from experiment-sandbox readiness.
73
+ - Support DeepSeek thinking-mode tool choice and plain-text final answers. Keep
74
+ required provider reasoning metadata in private session storage and preserve
75
+ it when resuming a conversation, without displaying it in chat or activity.
76
+ - Clarify SSH forwarding when a local port is already occupied.
77
+ - Show only simulations in the left sidebar. Separate Simulations and Commands
78
+ into right-side tabs with independent selections, counts and links; incoming
79
+ commands no longer open the simulation monitor.
80
+
81
+ ## 0.5.2rc1 (preview) — 2026-09-27
82
+
83
+ - Add a Linux/WSL one-command installer with checksummed release bundles, automatic
84
+ Python/uv setup, a persistent launcher, SSH forwarding guidance and separate version/data folders.
85
+ - Add the conversation-first research workspace with optional compatible API setup,
86
+ auto-detected native CLIs, per-conversation agent/model controls and agent-prepared studies.
87
+ - Keep named simulation folders and live logs beside conversations; link interactive
88
+ runs, figures, files and autonomous studies with a resizable side monitor.
89
+ - Render equations, highlighted code and saved figures; add larger typography, persistent
90
+ light/dark themes and confirmed conversation/folder deletion with active-run guards.
91
+ - Preserve scroll position and expanded details during live refreshes.
92
+ - Discover existing FLASH applications and WarpX CPU/GPU builds, including native-input
93
+ versus Python-binding availability; expose shipped research skills to browser workers.
94
+ - Resume native chat sessions and retain structured API history per conversation/model/
95
+ connection. Never reuse worker sessions for independent review.
96
+ - Remove the default interactive-turn time ceiling, show public progress and recent tools,
97
+ and retain user-selected autonomous/simulation deadlines. Clarify interruptions and
98
+ preserve job statuses; discourage untracked temporary simulation
99
+ runs, and include an HDF5 reader in the workspace environment.
100
+ - Accept an independently reviewed negative answer as completion when the study's
101
+ selected policy is `answer`; retain the existing `repair` policy.
102
+
5
103
  ## 0.5.1 — 2026-09-26
6
104
 
7
105
  - Update bundled FLASH and Python experiment skills with guided-study/HDF5 lessons,
@@ -2,8 +2,8 @@ cff-version: 1.2.0
2
2
  message: "If you use this software, please cite the exact software version and Git commit."
3
3
  title: "Simjecture"
4
4
  type: software
5
- version: 0.5.1
6
- date-released: 2026-09-26
5
+ version: 0.5.2
6
+ date-released: 2026-09-29
7
7
  abstract: >-
8
8
  An evidence-governed runtime for autonomous computational experimentation and
9
9
  falsification over hypothesis trees.
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.5
2
2
  Name: simjecture
3
- Version: 0.5.1
3
+ Version: 0.5.2
4
4
  Summary: Evidence-governed autonomous experimentation and falsification for computational science
5
5
  Project-URL: Homepage, https://github.com/tomzhu0225/simjecture
6
6
  Project-URL: Documentation, https://github.com/tomzhu0225/simjecture/tree/main/docs
@@ -35,6 +35,10 @@ Provides-Extra: process
35
35
  Requires-Dist: psutil<8,>=6; extra == 'process'
36
36
  Provides-Extra: tui
37
37
  Requires-Dist: textual<9,>=2.0; extra == 'tui'
38
+ Provides-Extra: workspace
39
+ Requires-Dist: h5py<4,>=3.10; extra == 'workspace'
40
+ Requires-Dist: psutil<8,>=6; extra == 'workspace'
41
+ Requires-Dist: smolagents[openai]<2,>=1.24; extra == 'workspace'
38
42
  Description-Content-Type: text/markdown
39
43
 
40
44
  # Simjecture
@@ -48,19 +52,48 @@ experiments, searches for counterexamples, and proposes small, testable repairs
48
52
  failed hypotheses. The harness records what actually ran and requires independent
49
53
  review before a scientific claim can close.
50
54
 
51
- **v0.5.1 is a research preview.** Minimal mode is the default: agents keep their
55
+ **v0.5.2 is the current stable release.** Minimal mode is the default: agents keep their
52
56
  native tools and choose their research strategy, while Simjecture manages recorded
53
57
  evidence, review and deadlines. Structured and frontier modes remain available.
54
58
  The system does not establish physical truth from a successful simulation or promise
55
59
  that a long agent run will produce a useful result.
56
60
 
57
- ## Start a study
61
+ The workspace includes visible **Continue investigation** and **Send
62
+ guidance** actions in the study view and experiment monitor. Continue with a new
63
+ budget and selected prior files, or send advisory guidance at the next checkpoint.
64
+ See [continuation and steering](docs/how-to/continuation-steering.md).
65
+
66
+ ## Install and open the workspace
67
+
68
+ On Linux or inside WSL, run:
69
+
70
+ ```bash
71
+ curl -fsSL https://github.com/tomzhu0225/simjecture/releases/download/v0.5.2/install.sh | bash
72
+ ```
73
+
74
+ The installer downloads the versioned release, verifies its checksum, installs uv,
75
+ Python 3.12 and the workspace dependencies, and starts the local GUI. Git and a CLI
76
+ agent are not required. Enter a compatible API endpoint and key in **Connections**, or
77
+ select an existing local CLI from the message composer. Choose **Interactive research**
78
+ for a task, or prepare an **Autonomous research** study together with the agent.
79
+
80
+ Software lives under `~/simjecture/app/<version>`; conversations, inputs, simulations
81
+ and studies stay in `~/simjecture/artifacts/projects`. Reopen the GUI with
82
+ `~/simjecture/start-workspace`. On SSH hosts the installer prints forwarding instructions
83
+ for your local browser. Keep the server terminal open, or run the launcher in your usual
84
+ session manager. Ubuntu/Debian may request sudo to install Bubblewrap; restricted
85
+ containers can open the GUI but may need a separately configured execution backend.
86
+
87
+ See [installation options](docs/getting-started/installation.md) and the
88
+ [workspace walkthrough](docs/getting-started/research-workspace.md).
89
+
90
+ ## Start a study from an external CLI
58
91
 
59
92
  Use Linux with Python 3.11+, [uv](https://docs.astral.sh/uv/), and an installed,
60
93
  authenticated native agent CLI. Bubblewrap is the default numerical execution backend.
61
94
 
62
95
  ```bash
63
- uv tool install 'simjecture[tui]==0.5.1'
96
+ uv tool install 'simjecture[tui]==0.5.2'
64
97
  simjecture install core
65
98
  simjecture doctor --execution-backend bubblewrap
66
99
 
@@ -180,11 +213,18 @@ simjecture install warpx-cpu
180
213
  simjecture doctor --profile warpx-cpu
181
214
  ```
182
215
 
216
+ The release also includes an [ITER ecosystem pack](docs/how-to/iter-pack.md):
217
+ CHERAB/Raysect synthetic diagnostics, CHERAB-ITER/IMAS adapters and IMAS data tools.
218
+ Use **Research tools → ITER pack → Install**, then **Run demo** for a monitored
219
+ example with plots, or run `simjecture install iter-pack`. JOREK, SOLPS-ITER and
220
+ DINA-PS have separate **Install with agent** entries and source-based guidance;
221
+ they are not silently included in the diagnostics installation.
222
+
183
223
  FLASH source is not redistributed. Solver source inspection can be configured separately
184
224
  from a writable problem/build area. See [runtime deployment](docs/how-to/deploy-runtimes.md)
185
225
  and the [scientific skills](skills/).
186
226
 
187
- ## What v0.5.1 changes
227
+ ## Research core introduced in v0.5.1
188
228
 
189
229
  This release builds on v0.5.0's minimal default and shared interfaces:
190
230
 
@@ -9,19 +9,48 @@ experiments, searches for counterexamples, and proposes small, testable repairs
9
9
  failed hypotheses. The harness records what actually ran and requires independent
10
10
  review before a scientific claim can close.
11
11
 
12
- **v0.5.1 is a research preview.** Minimal mode is the default: agents keep their
12
+ **v0.5.2 is the current stable release.** Minimal mode is the default: agents keep their
13
13
  native tools and choose their research strategy, while Simjecture manages recorded
14
14
  evidence, review and deadlines. Structured and frontier modes remain available.
15
15
  The system does not establish physical truth from a successful simulation or promise
16
16
  that a long agent run will produce a useful result.
17
17
 
18
- ## Start a study
18
+ The workspace includes visible **Continue investigation** and **Send
19
+ guidance** actions in the study view and experiment monitor. Continue with a new
20
+ budget and selected prior files, or send advisory guidance at the next checkpoint.
21
+ See [continuation and steering](docs/how-to/continuation-steering.md).
22
+
23
+ ## Install and open the workspace
24
+
25
+ On Linux or inside WSL, run:
26
+
27
+ ```bash
28
+ curl -fsSL https://github.com/tomzhu0225/simjecture/releases/download/v0.5.2/install.sh | bash
29
+ ```
30
+
31
+ The installer downloads the versioned release, verifies its checksum, installs uv,
32
+ Python 3.12 and the workspace dependencies, and starts the local GUI. Git and a CLI
33
+ agent are not required. Enter a compatible API endpoint and key in **Connections**, or
34
+ select an existing local CLI from the message composer. Choose **Interactive research**
35
+ for a task, or prepare an **Autonomous research** study together with the agent.
36
+
37
+ Software lives under `~/simjecture/app/<version>`; conversations, inputs, simulations
38
+ and studies stay in `~/simjecture/artifacts/projects`. Reopen the GUI with
39
+ `~/simjecture/start-workspace`. On SSH hosts the installer prints forwarding instructions
40
+ for your local browser. Keep the server terminal open, or run the launcher in your usual
41
+ session manager. Ubuntu/Debian may request sudo to install Bubblewrap; restricted
42
+ containers can open the GUI but may need a separately configured execution backend.
43
+
44
+ See [installation options](docs/getting-started/installation.md) and the
45
+ [workspace walkthrough](docs/getting-started/research-workspace.md).
46
+
47
+ ## Start a study from an external CLI
19
48
 
20
49
  Use Linux with Python 3.11+, [uv](https://docs.astral.sh/uv/), and an installed,
21
50
  authenticated native agent CLI. Bubblewrap is the default numerical execution backend.
22
51
 
23
52
  ```bash
24
- uv tool install 'simjecture[tui]==0.5.1'
53
+ uv tool install 'simjecture[tui]==0.5.2'
25
54
  simjecture install core
26
55
  simjecture doctor --execution-backend bubblewrap
27
56
 
@@ -141,11 +170,18 @@ simjecture install warpx-cpu
141
170
  simjecture doctor --profile warpx-cpu
142
171
  ```
143
172
 
173
+ The release also includes an [ITER ecosystem pack](docs/how-to/iter-pack.md):
174
+ CHERAB/Raysect synthetic diagnostics, CHERAB-ITER/IMAS adapters and IMAS data tools.
175
+ Use **Research tools → ITER pack → Install**, then **Run demo** for a monitored
176
+ example with plots, or run `simjecture install iter-pack`. JOREK, SOLPS-ITER and
177
+ DINA-PS have separate **Install with agent** entries and source-based guidance;
178
+ they are not silently included in the diagnostics installation.
179
+
144
180
  FLASH source is not redistributed. Solver source inspection can be configured separately
145
181
  from a writable problem/build area. See [runtime deployment](docs/how-to/deploy-runtimes.md)
146
182
  and the [scientific skills](skills/).
147
183
 
148
- ## What v0.5.1 changes
184
+ ## Research core introduced in v0.5.1
149
185
 
150
186
  This release builds on v0.5.0's minimal default and shared interfaces:
151
187
 
@@ -29,3 +29,11 @@ Model providers, literature services, and externally supplied guided
29
29
  commissioning packages are services or inputs rather than sublicensed parts of
30
30
  this source distribution. Run artifacts must retain the provenance and license
31
31
  information supplied by their generators.
32
+
33
+ The optional ITER ecosystem pack downloads CHERAB, Raysect, CHERAB-IMAS,
34
+ CHERAB-ITER, IMAS-Python, IMAS-Validator and their dependencies under their
35
+ respective upstream licenses. Solver guides refer to separately distributed
36
+ JOREK, SOLPS-ITER/EIRENE and DINA-PS. Their component code, data, citation and
37
+ redistribution terms remain upstream terms; Simjecture does not relicense them
38
+ or imply ITER endorsement. The diagnostic demo is independently authored using
39
+ public APIs; its CHERAB bremsstrahlung API reference is credited in the script.
@@ -0,0 +1,32 @@
1
+ {
2
+ "environment": {
3
+ "MPLBACKEND": "Agg",
4
+ "OMP_NUM_THREADS": "1",
5
+ "OPENBLAS_NUM_THREADS": "1",
6
+ "PYTHONDONTWRITEBYTECODE": "1"
7
+ },
8
+ "executable": "bin/python",
9
+ "identity_files": [
10
+ "share/build-record.json",
11
+ "share/installed-requirements.txt"
12
+ ],
13
+ "manifest": {
14
+ "description": "CHERAB/Raysect synthetic diagnostics and IMAS data tools; does not include JOREK, SOLPS or DINA binaries",
15
+ "executable_kind": "python-iter-pack",
16
+ "name": "iter-pack-1.0",
17
+ "preflight_checks": [
18
+ "checks.completed",
19
+ "checks.chord_integral",
20
+ "checks.density_scaling",
21
+ "checks.imas_roundtrip",
22
+ "checks.imas_bolometers",
23
+ "checks.iter_geometry"
24
+ ],
25
+ "preflight_resource": "examples/diagnostics_demo.py",
26
+ "preflight_result": "iter_pack_demo.json",
27
+ "schema_version": "0.1.0",
28
+ "skill": "iter-pack",
29
+ "version": "1.0"
30
+ },
31
+ "runtime_root": "../.runtime/iter-pack-1.0"
32
+ }
@@ -13,7 +13,9 @@
13
13
  "identity_files": [
14
14
  "bin/optab",
15
15
  "bin/mpi-launcher",
16
- "share/build-record.json"
16
+ "share/build-record.json",
17
+ "share/preflight/h5/NIST.h5",
18
+ "share/preflight/1016620_Supplementary_Data/gauntff.dat"
17
19
  ],
18
20
  "manifest": {
19
21
  "description": "Operator-supplied Optab 1.3 MPI/HDF5 opacity-table generator",
@@ -29,7 +31,8 @@
29
31
  "checks.process_completed",
30
32
  "checks.return_code_zero",
31
33
  "checks.hdf5_output_created",
32
- "checks.hdf5_output_readable"
34
+ "checks.hdf5_output_readable",
35
+ "checks.nist_data_complete"
33
36
  ],
34
37
  "preflight_resource": "examples/optab_runtime_smoke.py",
35
38
  "preflight_result": "optab_capability_smoke.json",
@@ -36,5 +36,9 @@
36
36
  "/opt/acs-dependencies/io": "../.runtime/warpx-cuda-openpmd-deps",
37
37
  "/opt/acs-dependencies/wsl-lib": "/usr/lib/wsl/lib"
38
38
  },
39
- "runtime_root": "../.runtime/warpx-cuda-openpmd"
39
+ "runtime_root": "../.runtime/warpx-cuda-openpmd",
40
+ "identity_files": [
41
+ "share/build-record.json",
42
+ "lib/python3.12/site-packages/pywarpx/__init__.py"
43
+ ]
40
44
  }
@@ -3,7 +3,7 @@ from __future__ import annotations
3
3
  project = "Simjecture"
4
4
  author = "Bowen Zhu"
5
5
  copyright = "2026, Bowen Zhu and contributors"
6
- release = "0.5.1"
6
+ release = "0.5.2"
7
7
 
8
8
  extensions = [
9
9
  "myst_parser",
@@ -0,0 +1,53 @@
1
+ # Release process
2
+
3
+ Simjecture publishes from a GitHub Release. The release workflow builds the
4
+ source distribution and wheel, verifies that the tag matches the version in
5
+ `pyproject.toml`, and uploads to PyPI with an OpenID Connect credential. No
6
+ long-lived PyPI token is stored in GitHub.
7
+
8
+ ## One-time account connections
9
+
10
+ Configure a PyPI pending trusted publisher with these exact values:
11
+
12
+ - PyPI project name: `simjecture`
13
+ - GitHub owner: `tomzhu0225`
14
+ - GitHub repository: `simjecture`
15
+ - Workflow filename: `release.yml`
16
+ - Environment name: `pypi`
17
+
18
+ In Zenodo's GitHub settings, enable the `tomzhu0225/simjecture` repository.
19
+ Zenodo then archives each new GitHub Release and assigns a version DOI.
20
+ `CITATION.cff` supplies its software metadata.
21
+
22
+ ## Publish a version
23
+
24
+ 1. Update the version in `pyproject.toml`, `CITATION.cff`, `docs/conf.py`,
25
+ `src/conjecture_solver/__init__.py`, `scripts/install-workspace.sh`, and the changelog.
26
+ Run `uv lock` and build both Python distributions (`uv build`) and the checksummed
27
+ workspace bundle (`python scripts/package_workspace.py --output dist`).
28
+ Verify the installer with `python scripts/verify_workspace_install.py --release-dir dist
29
+ --work-dir /tmp/simjecture-release-install-check`. This uses a fresh HOME, no API key
30
+ or CLI agent, and does not change host system packages.
31
+ 2. Run the complete local checks and merge them into `main`.
32
+ 3. Create an annotated `v<version>` tag on the tested commit.
33
+ 4. Publish a GitHub Release from that tag using the matching changelog section.
34
+ 5. Verify the GitHub workflow, installer assets/checksums, PyPI files, and Zenodo deposit before announcing
35
+ the release.
36
+
37
+ Publishing the GitHub Release is intentionally last: it triggers both external
38
+ publication paths and cannot be treated as a rehearsal.
39
+
40
+ ## Preview policy
41
+
42
+ Ship user-facing changes first as explicit release candidates (`0.5.2rc1`, `0.5.2rc2`, …).
43
+ Use matching GitHub tags (`v0.5.2rc1`) and mark the GitHub release **prerelease**, without
44
+ moving the stable/latest release. PyPI receives the PEP 440 prerelease version; ordinary
45
+ stable installs do not automatically select it. The optional npm bundle uses the matching
46
+ SemVer spelling (`0.5.2-rc.1`). Document a versioned, one-command installer URL so testing
47
+ is repeatable. Never replace an already published preview's artifacts with different code.
48
+
49
+ Record setup, interface, simulation and session-continuity feedback against the exact
50
+ preview version. Publish a new candidate for fixes. The installer keeps versioned program
51
+ folders and stable research-data folders; retain old versions during the preview period.
52
+ After user testing and release checks pass, publish `0.5.2` as stable and update the default
53
+ installer link. A preview is not a claim of scientific qualification for solver applications.
@@ -13,18 +13,21 @@ uv run simjecture web demos/gray_scott_counterexample/record --read-only
13
13
  See [Recorded Gray–Scott demo](../demos/gray-scott.md) for the scientific result
14
14
  and the boundaries of that record.
15
15
 
16
- To start a new study, install and log in to a supported native agent CLI
17
- (Codex GLM, Codex, Grok or AGY), then open the browser:
16
+ For a fresh setup, use the [one-command installer](installation.md), then open the
17
+ workspace. Enter a compatible API endpoint/key in **Connections**, or use a native CLI
18
+ that you have already installed and authenticated. Choose the agent/model in the composer.
18
19
 
19
- ```bash
20
- uv run simjecture web
21
- ```
20
+ Ask the agent to prepare a bounded study, for example:
21
+
22
+ > Test whether explicit Euler for y' = -y preserves nonnegativity for every positive
23
+ > time step. Search for a counterexample, record the Python calculation, and request
24
+ > independent review. A reviewed negative answer completes the study. Budget five minutes.
22
25
 
23
- In **New hypothesis**, choose mode, backend and model separately. **Minimal** is
24
- the default. It keeps the agent's native tools and planning freedom while recording
25
- experiments, counterexample searches, hypothesis repairs and independent reviews.
26
- Structured and frontier modes remain selectable. DSH and direct API routes are
27
- explicit legacy choices and require their separate provider configuration.
26
+ Review the prepared brief, open **Autonomous research**, and start it. The workspace
27
+ uses the existing minimal research core, with recorded experiments and independent
28
+ review. A timeout without review is incomplete work, not an accepted negative answer.
29
+ The advanced **New hypothesis** form remains at `/monitor` for explicit mode and
30
+ execution configuration. See the [workspace walkthrough](research-workspace.md).
28
31
 
29
32
  For a terminal run, write a bounded statement in `hypothesis.txt` and its test
30
33
  scope, resource constraints and acceptance criteria in `instructions.md`:
@@ -42,7 +45,7 @@ deadline are retained on resume.
42
45
 
43
46
  Minimal records include `research.json`, immutable experiment snapshots,
44
47
  prospective repair commitments, independent review receipts and a final
45
- `research_report.json`. A clean agent exit is only a checkpoint. A supported root
48
+ `research_report.json`. A clean agent exit is only a checkpoint. Under the default CLI `repair` completion policy, a supported root
46
49
  or an accepted falsification followed by a supported repair completes the study;
47
50
  uncertainty stays unresolved. Numerical convergence and physical validity remain
48
51
  scientific obligations. See [minimal research](../how-to/research-service.md).