diff --git a/CHANGELOG.md b/CHANGELOG.md new file mode 100644 index 0000000..8755d3d --- /dev/null +++ b/CHANGELOG.md @@ -0,0 +1,377 @@ +# Changelog + +## 0.1.0 (2026-09-23) + + +### Features + +* add 'download all' endpoint for results (SBP-388) ([#87](https://github.com/AustralianBioCommons/sbp-backend/issues/87)) ([4f6d516](https://github.com/AustralianBioCommons/sbp-backend/commit/4f6d516f9c4bc73b58c85bbf381802e7399468f3)) +* add admin-only endpoint to show GADI PBS queue status ([dc98f4d](https://github.com/AustralianBioCommons/sbp-backend/commit/dc98f4dd85980382ce1fe167b7f1359f1f3549f2)) +* add admin-only endpoint to show GADI PBS queue status ([054eb32](https://github.com/AustralianBioCommons/sbp-backend/commit/054eb32cf94b06d38e974775b461288e83e8f981)) +* add chmod +x bin in prerunscipt ([835bd36](https://github.com/AustralianBioCommons/sbp-backend/commit/835bd3648cde90e2708aca1278c704e28019c3e7)) +* add compute_env checks for seqera tower aliveness ([8ad7193](https://github.com/AustralianBioCommons/sbp-backend/commit/8ad7193b31774721204024b7cd045f5f8b472764)) +* add credit metadata for users ([8e5d5f7](https://github.com/AustralianBioCommons/sbp-backend/commit/8e5d5f74ad83ab2669b89f327a0ddc7c12209392)) +* add DataTransfer model and migration ([1c52e24](https://github.com/AustralianBioCommons/sbp-backend/commit/1c52e24c9aba68313ce6be3c70d8772a3aea7548)) +* add DataTransfer model and migration ([e93f313](https://github.com/AustralianBioCommons/sbp-backend/commit/e93f313d9ace70c30592f7ae4ffd6876bdcf3d1a)) +* add dropdown for queue selection ([183a428](https://github.com/AustralianBioCommons/sbp-backend/commit/183a428d01e86c234a6b6ba976a8ac784ab2f84f)) +* add easy way to generate migrations ([4bea6ca](https://github.com/AustralianBioCommons/sbp-backend/commit/4bea6ca37e5c0e3c3020818a7bfb5fe858b03d84)) +* add endpoint for workflow credit calculation ([aaad9bb](https://github.com/AustralianBioCommons/sbp-backend/commit/aaad9bbcdedba216196401a151ac5f737981e228)) +* add endpoint to serve result files ([71a56fb](https://github.com/AustralianBioCommons/sbp-backend/commit/71a56fb498b9774242b5d51898047432b8cf1c86)) +* add endpoint to serve result files (SBP-196) ([9dcec6e](https://github.com/AustralianBioCommons/sbp-backend/commit/9dcec6e1ac759f4495dee5307dc3f06708d57c6b)) +* add export all and enable owner search in workflow runs ([4fd1c38](https://github.com/AustralianBioCommons/sbp-backend/commit/4fd1c380c4f1c1c7db64032a9446953f0443a235)) +* add export all and enable owner search in workflow runs ([eb3fafd](https://github.com/AustralianBioCommons/sbp-backend/commit/eb3fafd65ac8ef74570086a7eb298603b9b627fd)) +* add form validation for single prediction based on sequence length and number of entities (SBP-483) ([536f9ce](https://github.com/AustralianBioCommons/sbp-backend/commit/536f9cef3daaf0604f4e1ab5656ab6ce039e0d29)) +* add health status route in backend for users ([5c2c50c](https://github.com/AustralianBioCommons/sbp-backend/commit/5c2c50cec516b5ed566e4f730f3b179547ee248d)) +* add health status route in backend for users ([4c1a228](https://github.com/AustralianBioCommons/sbp-backend/commit/4c1a228267e4092095f3f0387f34f2bbbc6700f1)) +* add health system api for admins ([0abf6ce](https://github.com/AustralianBioCommons/sbp-backend/commit/0abf6ce46cacf1cbd07423232a4d1156c95997fa)) +* add health system api for admins ([18706e7](https://github.com/AustralianBioCommons/sbp-backend/commit/18706e702da4a427d056b3f5aa668a86d44e7002)) +* add jitter and more attempts to submit jobs ([3041105](https://github.com/AustralianBioCommons/sbp-backend/commit/304110591eba6fa0ae1570b77e1c5b376f90b051)) +* add merge alembic heads ([58939e9](https://github.com/AustralianBioCommons/sbp-backend/commit/58939e9f0d8bc2dabb11d70b0122e23f826390fb)) +* add migration ([bb01dfd](https://github.com/AustralianBioCommons/sbp-backend/commit/bb01dfd342eed0b4cbb185ec49b991a6d069d4ae)) +* add more tooltip for admin dashboard health status ([ef6ba18](https://github.com/AustralianBioCommons/sbp-backend/commit/ef6ba1854750855fb0d11d0e49c45d73d8ab0ece)) +* add more tooltip for admin dashboard health status ([a1a0e21](https://github.com/AustralianBioCommons/sbp-backend/commit/a1a0e21484907f1855b9b4e20310190dfad937e6)) +* add nxf_assets ([e74a72c](https://github.com/AustralianBioCommons/sbp-backend/commit/e74a72c52ad5e9e2ed723b271bfb75f14413a128)) +* add profile in workflows table ([eee717b](https://github.com/AustralianBioCommons/sbp-backend/commit/eee717b15f15496fe1723cca2618dca42127fff2)) +* add profile in workflows table ([545b742](https://github.com/AustralianBioCommons/sbp-backend/commit/545b742132f5221ac32916f972311125ae81e158)) +* add ProteinDjFromData ([8a6881d](https://github.com/AustralianBioCommons/sbp-backend/commit/8a6881d84197455cbcd8827924f62341e27dfbca)) +* add QueuedJob to db admin dashboard ([#85](https://github.com/AustralianBioCommons/sbp-backend/issues/85)) ([de08174](https://github.com/AustralianBioCommons/sbp-backend/commit/de0817454678525789a5407443d00684008065c1)) +* add repo assets ([cc79f14](https://github.com/AustralianBioCommons/sbp-backend/commit/cc79f1476c63279cae4374e21fba6bfdbca87d6f)) +* add required fields to ProteinDJ form data ([76c6f1b](https://github.com/AustralianBioCommons/sbp-backend/commit/76c6f1bec7e7674b40393eeeeb0069629b8488e2)) +* add rfd_length params ([1e3ccd0](https://github.com/AustralianBioCommons/sbp-backend/commit/1e3ccd023d5d7d185a9cb31dc88657417b446511)) +* add sbp credits, rename service unit to NCI ([965e848](https://github.com/AustralianBioCommons/sbp-backend/commit/965e848ead3adb83e39f6b720f70f7c2c9711ac5)) +* add single-prediction entity validation and related tests ([0b7a2a6](https://github.com/AustralianBioCommons/sbp-backend/commit/0b7a2a68abf1788deeaaef0c8ab1ecce3cb25a1d)) +* add specs and functions for proteinfold outputs ([538355f](https://github.com/AustralianBioCommons/sbp-backend/commit/538355f6955f4bc6fdec4cbb54a21ad2140c090f)) +* add structured settings management (SBP-531) ([#132](https://github.com/AustralianBioCommons/sbp-backend/issues/132)) ([80d9529](https://github.com/AustralianBioCommons/sbp-backend/commit/80d9529947eb8f4579f96fea3a612ce7a52df301)) +* add submission_timestamp to WorkflowRun table and admin dashboard ([1f1a9a2](https://github.com/AustralianBioCommons/sbp-backend/commit/1f1a9a231b3ace5c38c2f1c3c579fa01d6534cce)) +* add submission_timestamp to WorkflowRun table and admin dashboard ([b51b846](https://github.com/AustralianBioCommons/sbp-backend/commit/b51b846c2868c459f3e0727b08dc6eafdb3d93af)) +* add target input folder to fasta ([#46](https://github.com/AustralianBioCommons/sbp-backend/issues/46)) ([b7f9374](https://github.com/AustralianBioCommons/sbp-backend/commit/b7f9374ed816f5be2e2397f97ff3552420f28fb7)) +* add test sequences ([dd57252](https://github.com/AustralianBioCommons/sbp-backend/commit/dd57252e3dce4898957731ae20e450678eb0bfd1)) +* add tool, force repo-url, revision and ([ffd4b89](https://github.com/AustralianBioCommons/sbp-backend/commit/ffd4b892f3235366d230b168c69f93c7f3fc3061)) +* add types/dataclasses to define outputs ([e5f6069](https://github.com/AustralianBioCommons/sbp-backend/commit/e5f6069e357237c8aca896f479535cde9cbd19e2)) +* add user credit to db and route ([377605f](https://github.com/AustralianBioCommons/sbp-backend/commit/377605f5524c6dcb91c42573b2f0db3b879a641c)) +* add user decrease-only update credit ([290725c](https://github.com/AustralianBioCommons/sbp-backend/commit/290725cfcb2fef04ba5c2216b02d0b23e689735f)) +* add user decrease-only update credit ([c81902f](https://github.com/AustralianBioCommons/sbp-backend/commit/c81902f0e57dd3f9305c19486e679208fc56775a)) +* add workflow credit information ([dc0ceff](https://github.com/AustralianBioCommons/sbp-backend/commit/dc0ceffa8c3164cc8b4377ded30d4634ee086f71)) +* add workflow credit information ([351deb2](https://github.com/AustralianBioCommons/sbp-backend/commit/351deb2fc6aef50a1953bccaa6489d8cf2985e47)) +* add workflows name and tool constraint ([0b6442d](https://github.com/AustralianBioCommons/sbp-backend/commit/0b6442d4b8f9a03218b31ca300c2fae35f017400)) +* additional proteindj form data validation ([22d1a12](https://github.com/AustralianBioCommons/sbp-backend/commit/22d1a12a20c7c52c95e2f9d4d2f2a1d0ca6d014b)) +* AGENTS.md with guidelines ([#141](https://github.com/AustralianBioCommons/sbp-backend/issues/141)) ([5e375e2](https://github.com/AustralianBioCommons/sbp-backend/commit/5e375e23f4673cf63394082bca8f8bce11e106be)) +* automatically generate UUIDs for DB models ([69d0892](https://github.com/AustralianBioCommons/sbp-backend/commit/69d08920d3ab652919a201ece5cc38f5340a9a2f)) +* automatically grant new sbp bundle users credits ([e8db882](https://github.com/AustralianBioCommons/sbp-backend/commit/e8db8829bbf1caa84e69b119a7bfde1214b82fb9)) +* automatically grant new sbp bundle users credits ([9d5675f](https://github.com/AustralianBioCommons/sbp-backend/commit/9d5675fe41db892b2116abf6a8c594ce740089d9)) +* base64 encode utils ([c1a7cc9](https://github.com/AustralianBioCommons/sbp-backend/commit/c1a7cc955e805dc2dd39c9263f1abdf50a882407)) +* bootstrap script for auto-migrations and switch to shared ECR ([c4a0bf0](https://github.com/AustralianBioCommons/sbp-backend/commit/c4a0bf0cbe6f503a958657fefb05a16d048ce80c)) +* bootstrap script for auto-migrations and switch to shared ECR ([fdd225c](https://github.com/AustralianBioCommons/sbp-backend/commit/fdd225caf2c97799d60f04f371ddf88e4012284b)) +* CI workflow to check migrations after merge ([#70](https://github.com/AustralianBioCommons/sbp-backend/issues/70)) ([79775be](https://github.com/AustralianBioCommons/sbp-backend/commit/79775be0192f067b4417b777b3983ba1e239a74e)) +* collect bulk prediction outputs ([9624571](https://github.com/AustralianBioCommons/sbp-backend/commit/9624571eec803ed8028bc402ccb0abdda6620d7a)) +* collect bulk prediction outputs ([5f33003](https://github.com/AustralianBioCommons/sbp-backend/commit/5f33003188242f1c73dc6ec31c4caa128855cc08)) +* collect pae and allow report render ([0a7808c](https://github.com/AustralianBioCommons/sbp-backend/commit/0a7808c6a04e40db2720858f22e5eb7aede8c2df)) +* collect PAE, remove confidence in wisps ([4b52648](https://github.com/AustralianBioCommons/sbp-backend/commit/4b52648052629e255d0dd71ab88170124a3d1ada)) +* collect wisps output ([ae010ba](https://github.com/AustralianBioCommons/sbp-backend/commit/ae010bad8db7280e9cd4d3084b1379283b81d866)) +* derive final_designs from max_traj ([1a470f3](https://github.com/AustralianBioCommons/sbp-backend/commit/1a470f3c8f2f176d6eb7e8d237f1b4eedde29c15)) +* detect time zone in system status ([65023ec](https://github.com/AustralianBioCommons/sbp-backend/commit/65023eccaf22257c4757d815596e8fbf9acde494)) +* display data transfer on admin dashboard ([378ce34](https://github.com/AustralianBioCommons/sbp-backend/commit/378ce3440d9cb70252a4d65309417ba3380f2578)) +* display historic health status ([379a7f9](https://github.com/AustralianBioCommons/sbp-backend/commit/379a7f989cb50bd479fb744fe1712502f766dd79)) +* display SBP credit cost in admin dashboard ([a4efe1f](https://github.com/AustralianBioCommons/sbp-backend/commit/a4efe1ff3c3338e7c6f6fb729f34fe92b7051a39)) +* enable admins to manuallly update user credits ([3aa63d3](https://github.com/AustralianBioCommons/sbp-backend/commit/3aa63d3139f667b1d064bbab02a20e972b38e9f2)) +* enable admins to manuallly update user credits ([5741047](https://github.com/AustralianBioCommons/sbp-backend/commit/5741047ce23969e30debde1f26ad4f7a9a980704)) +* enable download structures.zip for bindcraft ([61dbcb7](https://github.com/AustralianBioCommons/sbp-backend/commit/61dbcb7a9300b2f16c7b2e8185e657fff359a02a)) +* encode email and IP address in cluster options ([cc4b121](https://github.com/AustralianBioCommons/sbp-backend/commit/cc4b12165a668f02a25ee1b28b470ca898e1c5da)) +* encode email and ip for cluster options ([18b2699](https://github.com/AustralianBioCommons/sbp-backend/commit/18b26996b3ac0122e7b6a34efea558da7426b39e)) +* ensure sample_id is generated if not received from form data ([591f162](https://github.com/AustralianBioCommons/sbp-backend/commit/591f16234923ecce139fd6798f4226f470f362bb)) +* fetch prerun scripts from prerun_script_path ([9cd91a3](https://github.com/AustralianBioCommons/sbp-backend/commit/9cd91a3fb1e77242f95c066dd50bdb05d49b0d97)) +* fix remote url ([0d1bf43](https://github.com/AustralianBioCommons/sbp-backend/commit/0d1bf436010806c6c54d68b31d0e750e1e4e0925)) +* fix summary time min width ([a26dd97](https://github.com/AustralianBioCommons/sbp-backend/commit/a26dd97cbb5493e4d2b585bf9ee470aeff885920)) +* fix workflow staging, add nxf_assets in prerunscript ([b894515](https://github.com/AustralianBioCommons/sbp-backend/commit/b8945151ba29dd10c05b63579cf78696f655526b)) +* for not null in data transfer and backfill ([ae0a03d](https://github.com/AustralianBioCommons/sbp-backend/commit/ae0a03d37c41ac2cadf074077e258088a833f6d7)) +* force result syncing for completed workflow ([28c6970](https://github.com/AustralianBioCommons/sbp-backend/commit/28c6970c782d1f48d9f6e358c8affba6a99e90a0)) +* force result syncing for completed workflow ([ab2844b](https://github.com/AustralianBioCommons/sbp-backend/commit/ab2844ba4c36aa57dbd67aef4b5c44b6dc3e2d9b)) +* handle structure files for wisps ([541310d](https://github.com/AustralianBioCommons/sbp-backend/commit/541310d5412d3d5240b6c829306dc61785e11089)) +* improve admin view + add for all models ([5289d9d](https://github.com/AustralianBioCommons/sbp-backend/commit/5289d9daecbbb35c0522caac6430a21e27cfdfd0)) +* improve GADI dashboard status ([656dc16](https://github.com/AustralianBioCommons/sbp-backend/commit/656dc16403a0adcede342e421582c6066fbed5dc)) +* improve GADI dashboard status ([8f58fc6](https://github.com/AustralianBioCommons/sbp-backend/commit/8f58fc61b89207b3c25e45de98df57399ef50850)) +* improvements for database admin ([1f9a4db](https://github.com/AustralianBioCommons/sbp-backend/commit/1f9a4dbf0dbd68209cd371a1ec5ae17870af91d4)) +* limit the number of jobs submitted ([c89a070](https://github.com/AustralianBioCommons/sbp-backend/commit/c89a070bc12c64790c3b1ebf7bfd52e5bf7609da)) +* limit the number of jobs submitted ([e66870e](https://github.com/AustralianBioCommons/sbp-backend/commit/e66870e0569a8e803b4f968e39a567a54ab61444)) +* machine-only health component ([a2d6a85](https://github.com/AustralianBioCommons/sbp-backend/commit/a2d6a85b650f4587649545ae084464213afaeffa)) +* machine-only health component ([136d131](https://github.com/AustralianBioCommons/sbp-backend/commit/136d1313a41525d6691ef2e7b4f3dd04f8758f27)) +* maintain jobs list while seqera api is off ([2e050ef](https://github.com/AustralianBioCommons/sbp-backend/commit/2e050ef1351506a4dd70ae7457a5f99869dead38)) +* max score, archive pdb file for rfdiffusion ([a07b068](https://github.com/AustralianBioCommons/sbp-backend/commit/a07b0687a589bf522cc52fc392cda5135a0eef72)) +* molecular sequence validation ([9544296](https://github.com/AustralianBioCommons/sbp-backend/commit/9544296f92a8608bbf45e4b887d5ca4ec228fcdf)) +* no more bindflow ([d0239a6](https://github.com/AustralianBioCommons/sbp-backend/commit/d0239a6c7b411f670a0ec7103e1fcd00adebede0)) +* only refresh credits for approved users ([f2acc81](https://github.com/AustralianBioCommons/sbp-backend/commit/f2acc812c750161706b9026613c8811d925ee524)) +* proteindj config and executor ([ccf7489](https://github.com/AustralianBioCommons/sbp-backend/commit/ccf74897421bc1c415ff76891acec13b3167771c)) +* proteinfold output collection (and refactor of existing output) ([543d76c](https://github.com/AustralianBioCommons/sbp-backend/commit/543d76c60100488dfbd268b7d4bf2f3f189a9589)) +* publish versioned image tag ([e8057cb](https://github.com/AustralianBioCommons/sbp-backend/commit/e8057cb1dc583f5df83ab76367f72e849fd4da28)) +* publish versioned image tag ([092f3ba](https://github.com/AustralianBioCommons/sbp-backend/commit/092f3bab7ad34c02db6a1c63c62a5632b4a50760)) +* push job list sort/filter/pagination into SQL ([9fda9ae](https://github.com/AustralianBioCommons/sbp-backend/commit/9fda9aeb7a4d5d50f9de232618ae282116e9a5f5)) +* query tool if workflows.tool is not null ([42cea4d](https://github.com/AustralianBioCommons/sbp-backend/commit/42cea4ddcef131456c95bf94e64b3081a2c83c62)) +* queued jobs table in database ([#81](https://github.com/AustralianBioCommons/sbp-backend/issues/81)) ([98cde17](https://github.com/AustralianBioCommons/sbp-backend/commit/98cde170d6079d695875b85bcb798db022dc469a)) +* record input and output in data transfer ([c858a11](https://github.com/AustralianBioCommons/sbp-backend/commit/c858a11461f7ef032962a1e335adfac9be0289a7)) +* record system status incidents in the db ([c2b59c9](https://github.com/AustralianBioCommons/sbp-backend/commit/c2b59c9c6eb9f97c02ecf2c5fd6610f083c22698)) +* refresh user credits to 1000 every month ([34ded08](https://github.com/AustralianBioCommons/sbp-backend/commit/34ded081b995b8b23a9d7a956e53037eeabba610)) +* removal of boltzgen ([f240bb0](https://github.com/AustralianBioCommons/sbp-backend/commit/f240bb08d272a279155524ecefd15f5c9e8e7f8e)) +* removal of boltzgen ([4f7065f](https://github.com/AustralianBioCommons/sbp-backend/commit/4f7065f7ab52cde02e5968bacf7c43f8d22beef9)) +* remove afd_length, update related tests ([eb22765](https://github.com/AustralianBioCommons/sbp-backend/commit/eb227653973cf4768c288c2a84b9f3ef23bb24bd)) +* remove gadi config in bindflow ([0f1682e](https://github.com/AustralianBioCommons/sbp-backend/commit/0f1682e06abb6d746378699045de44cb4f70ac95)) +* remove gadi config in bindflow ([75e5734](https://github.com/AustralianBioCommons/sbp-backend/commit/75e57342b0ed3af3a8471329d92ef8393b540b0d)) +* remove profile, add ref_database support ([6653b88](https://github.com/AustralianBioCommons/sbp-backend/commit/6653b8862ad0584bb565076a529e3224af83e4f3)) +* replace seqera dataset by s3 upload ([7d58bf9](https://github.com/AustralianBioCommons/sbp-backend/commit/7d58bf94636eec0cd0167dd9aeba22573803e839)) +* rfdiffusion results ([cea3758](https://github.com/AustralianBioCommons/sbp-backend/commit/cea3758a0b3338eea9431dce1d8290661f4922a3)) +* RFDiffusion workflow ([ebcb54c](https://github.com/AustralianBioCommons/sbp-backend/commit/ebcb54c5287ccd2644ebf61b3a2d5ec42188ab67)) +* scheduler improvements for prod (SBP-609) ([#162](https://github.com/AustralianBioCommons/sbp-backend/issues/162)) ([f745247](https://github.com/AustralianBioCommons/sbp-backend/commit/f745247be27e7dff53a94961b1e147cc755c5e84)) +* score extraction for single prediction workflows ([#72](https://github.com/AustralianBioCommons/sbp-backend/issues/72)) ([477d455](https://github.com/AustralianBioCommons/sbp-backend/commit/477d455c1fb28b4f2cf929db7b662e627f43bcd1)) +* select wisps outputs based on tool used ([e145fa8](https://github.com/AustralianBioCommons/sbp-backend/commit/e145fa8f43c12ea72a865cc178cd5c3a9856a744)) +* smiles ligand validation ([65cb0f3](https://github.com/AustralianBioCommons/sbp-backend/commit/65cb0f345743703121f1b053c8b456d86b8331d0)) +* smiles ligand validation ([2edd1d0](https://github.com/AustralianBioCommons/sbp-backend/commit/2edd1d0a0fad0a3817ff01393111cd798e4670e2)) +* split bootstrap into migrate/serve modes ([fa07132](https://github.com/AustralianBioCommons/sbp-backend/commit/fa071329007b746dfa2c36bfc1346eb6ea36de2c)) +* split bootstrap into migrate/serve modes ([e9bdc0a](https://github.com/AustralianBioCommons/sbp-backend/commit/e9bdc0ac2d5a7115f2e8cbf08c1276d7abe4bc91)) +* staging workflow url ([30d10b0](https://github.com/AustralianBioCommons/sbp-backend/commit/30d10b05c519c5f598126daac2014a645f33a2c5)) +* sync workflow status/results in job scheduler (SBP-523) ([#118](https://github.com/AustralianBioCommons/sbp-backend/issues/118)) ([8796607](https://github.com/AustralianBioCommons/sbp-backend/commit/87966071f5a9711133a64de1df6e0c8061d5a5ee)) +* track service unit cost of runs in database (SBP-445) ([#113](https://github.com/AustralianBioCommons/sbp-backend/issues/113)) ([896ee39](https://github.com/AustralianBioCommons/sbp-backend/commit/896ee39f68299d2184592290a7c6d9d8f4c12ee9)) +* update cluster options ([b3d3717](https://github.com/AustralianBioCommons/sbp-backend/commit/b3d3717c6c077b996aec681a16a9c890b884800e)) +* update database diagram ([dc1941d](https://github.com/AustralianBioCommons/sbp-backend/commit/dc1941d146516d7cc3a67b8c357f71c54ab963f0)) +* update diagram ([4a0dc56](https://github.com/AustralianBioCommons/sbp-backend/commit/4a0dc56ff46b0563353526d398a55ae5dc1f6a64)) +* update new schema diagram ([cd483ef](https://github.com/AustralianBioCommons/sbp-backend/commit/cd483effee7792e87fd1b87ebf92d2ce354ed4d1)) +* update nextflow module version ([57ac01a](https://github.com/AustralianBioCommons/sbp-backend/commit/57ac01a32cf65d5b7dd933cf43a8c09dd9f6791e)) +* update nextflow module version ([a3536fb](https://github.com/AustralianBioCommons/sbp-backend/commit/a3536fbb45bed6250c0f240284f0780f42e6c8d0)) +* Update proteinfold output files to capture structures in cif format (SBP-451) ([6a17515](https://github.com/AustralianBioCommons/sbp-backend/commit/6a17515e2e9c861b43d1175b410a3e7ac17780f3)) +* update schema diagram ([af16c33](https://github.com/AustralianBioCommons/sbp-backend/commit/af16c330c5f6cc68587d11ac8fa92b45b11df54b)) +* update schema diagram ([2bf7487](https://github.com/AustralianBioCommons/sbp-backend/commit/2bf7487a2401242281d335d12c10331094e2e8ed)) +* update shared workflow import ([46ef414](https://github.com/AustralianBioCommons/sbp-backend/commit/46ef41472aee20c2dd68ef5eb114442e896e9974)) +* update tool in admin dashboard ([43e5ad2](https://github.com/AustralianBioCommons/sbp-backend/commit/43e5ad28947a252c5888e23d21e3ee79c2523387)) +* use a job scheduler to launch workflows when the system is healthy (SBP-421) ([#96](https://github.com/AustralianBioCommons/sbp-backend/issues/96)) ([43cc676](https://github.com/AustralianBioCommons/sbp-backend/commit/43cc676958abfb84c071ebcaf98d28f8223cdd56)) +* use Globus data transfers for results/output (SBP-535) ([#139](https://github.com/AustralianBioCommons/sbp-backend/issues/139)) ([a5fa2e7](https://github.com/AustralianBioCommons/sbp-backend/commit/a5fa2e7aabcb64311640d111d8df64fc5200039f)) +* wire proteindj workflow to de-novo-design ([82604b5](https://github.com/AustralianBioCommons/sbp-backend/commit/82604b5e2a9742f29ff4a86ad37f98202abd439e)) +* wisps bulk prediction launch ([945d711](https://github.com/AustralianBioCommons/sbp-backend/commit/945d711aa9dac38ce84ff34c6b117c83a1a3e343)) +* wisps bulk prediction launch ([c26778a](https://github.com/AustralianBioCommons/sbp-backend/commit/c26778a2b2e6ff535ca7888d70503561063bb5f2)) +* wisps confidence scores ([510974b](https://github.com/AustralianBioCommons/sbp-backend/commit/510974b47308601bd1330b779a564e8427e12502)) +* wisps output ([0bc1ce2](https://github.com/AustralianBioCommons/sbp-backend/commit/0bc1ce2ee58849772cf4e78445bef67391c4cedb)) +* wisps workflow executor and config ([fb0a036](https://github.com/AustralianBioCommons/sbp-backend/commit/fb0a036ac148cf7220c572c26647df56ff64621c)) +* wisps workflow executor and config ([a3a6e78](https://github.com/AustralianBioCommons/sbp-backend/commit/a3a6e782591c7eb278fea450a3cd097d1027f425)) +* workflow staging ([c586418](https://github.com/AustralianBioCommons/sbp-backend/commit/c586418af300c4404741abe409476cc3811ef1d9)) +* workflow staging, resolve bindflow settings ([37e5c8a](https://github.com/AustralianBioCommons/sbp-backend/commit/37e5c8aca98aa1d318bcb18938bb09061497bc85)) + + +### Bug Fixes + +* fix: ([ec65571](https://github.com/AustralianBioCommons/sbp-backend/commit/ec6557164d38c1dba171871cb2171d8fdde5eea8)) +* _CONFIGS_BY_CATEGORY keys typed as WorkflowName ([00fa995](https://github.com/AustralianBioCommons/sbp-backend/commit/00fa995a35042cbbd63258521b40bfd2a64dc697)) +* _parse_snapshot now raises ValueError ([2c09e4e](https://github.com/AustralianBioCommons/sbp-backend/commit/2c09e4e6e1c17b816c47ba872660807260b1bcb0)) +* add back the scripts ([e950ac5](https://github.com/AustralianBioCommons/sbp-backend/commit/e950ac5fafef9f5d9ba57623577e1968a94e8c7a)) +* add interaction-screening dataset upload ([64442e4](https://github.com/AustralianBioCommons/sbp-backend/commit/64442e4ce327a962e203bfc751e3fbcf8dc3701b)) +* add load dotenv to run_scheduler.py ([b25f78f](https://github.com/AustralianBioCommons/sbp-backend/commit/b25f78f1d1760227e14af61e24c8122145d832e2)) +* add missing 1 credit for boltzgen ([bc8e54c](https://github.com/AustralianBioCommons/sbp-backend/commit/bc8e54c93ff0318787a752828cf0ef2e798199b8)) +* add missing 1 credit for boltzgen ([779ab7b](https://github.com/AustralianBioCommons/sbp-backend/commit/779ab7b708b1f25cf31a13f79a69a967a3497fa6)) +* add pdb to zip category ([1906098](https://github.com/AustralianBioCommons/sbp-backend/commit/19060988e94929c62d4cc9272e3963c32b1f1c23)) +* add submissions workflow timestamp for admin view ([e720d2a](https://github.com/AustralianBioCommons/sbp-backend/commit/e720d2acffda68ae73857a15a2738ccbe5fb5934)) +* add submissions workflow timestamp for admin view ([675d2d2](https://github.com/AustralianBioCommons/sbp-backend/commit/675d2d288b0bb16092b18b96acab0f04ecae6714)) +* add timezone info in admin database UI ([c58e543](https://github.com/AustralianBioCommons/sbp-backend/commit/c58e543cb4b10b147956e1abb52c1853196ead18)) +* add timezone info in admin database UI ([25a9839](https://github.com/AustralianBioCommons/sbp-backend/commit/25a9839763ff0ba499c367e9cc46c883e7828335)) +* add workflow revision in staging path ([b374359](https://github.com/AustralianBioCommons/sbp-backend/commit/b374359b0a4addb79d88d0a33bec3ee624eb30c5)) +* add workflow revision in staging path ([f3c2c79](https://github.com/AustralianBioCommons/sbp-backend/commit/f3c2c7944449ad11a8188b2ea6c803423c05eeaa)) +* add workflow revision in staging path ([b7da63c](https://github.com/AustralianBioCommons/sbp-backend/commit/b7da63c2bda7295a0cdb3e6e1b04e83c5c8388b7)) +* add workflow_runs tool for admin view ([#60](https://github.com/AustralianBioCommons/sbp-backend/issues/60)) ([72ef9cd](https://github.com/AustralianBioCommons/sbp-backend/commit/72ef9cdbe290c63ec941a0bb12d08a1ffc8b7dbf)) +* admin dashboard title ([19c361c](https://github.com/AustralianBioCommons/sbp-backend/commit/19c361cff14e892254f23a688d279c8ee90889c2)) +* admin dashboard title ([0918492](https://github.com/AustralianBioCommons/sbp-backend/commit/091849206842162de39e85378b983e9c085bad33)) +* allow syncing to be marked complete with missing outputs ([#150](https://github.com/AustralianBioCommons/sbp-backend/issues/150)) ([b709db2](https://github.com/AustralianBioCommons/sbp-backend/commit/b709db2c2526b6753100008f50a0b38aa5b1f297)) +* backfill sbp bundle credit grant for ([894e5fd](https://github.com/AustralianBioCommons/sbp-backend/commit/894e5fdd01d397517bf509ab5e5d352bae538237)) +* black ([c989aba](https://github.com/AustralianBioCommons/sbp-backend/commit/c989abac0e59a4d59305195fe68520dc91c31a2c)) +* check cached health status ([840000c](https://github.com/AustralianBioCommons/sbp-backend/commit/840000cda101fe330e7b129cf562a0948169f320)) +* comments ([074f665](https://github.com/AustralianBioCommons/sbp-backend/commit/074f6652c99346498289108a684d3f4f0c35b933)) +* completed bookkeeping data transfer ([45f2cff](https://github.com/AustralianBioCommons/sbp-backend/commit/45f2cfff20ced33fd46645c23ead8f79af54b155)) +* completed status for job dashboard ([91bfbcc](https://github.com/AustralianBioCommons/sbp-backend/commit/91bfbcc70c367502a0debadb6ec34ec8feb2419b)) +* completed status for job dashboard ([d84a6a9](https://github.com/AustralianBioCommons/sbp-backend/commit/d84a6a9f3afdabe907b1620ff0a4ff769e432cb3)) +* consolidate credits components to credits.py ([8dba4ce](https://github.com/AustralianBioCommons/sbp-backend/commit/8dba4cebaeb35a7866068b09267ee131b98b81cd)) +* count active workflows via totalSize ([dca5839](https://github.com/AustralianBioCommons/sbp-backend/commit/dca5839619c78a026713a5430cfa183fbbb555c0)) +* decode account name for gadi status ([8736e86](https://github.com/AustralianBioCommons/sbp-backend/commit/8736e86d0536b4361066c956549340645d732d06)) +* decode account name for gadi status ([d7763ff](https://github.com/AustralianBioCommons/sbp-backend/commit/d7763ff0eeff9766a5286939932247cfe4c47b90)) +* decouple Seqera health checks from job submission to stop timeou… ([b7a80c4](https://github.com/AustralianBioCommons/sbp-backend/commit/b7a80c4c31af80517d9b35889056ed64c755f2ec)) +* decouple Seqera health checks from job submission to stop timeout stalls ([d3e0a31](https://github.com/AustralianBioCommons/sbp-backend/commit/d3e0a317e7ff034dcd258fb43033449be006cb29)) +* displayed submittedAt diverging its DB sort key ([58d274a](https://github.com/AustralianBioCommons/sbp-backend/commit/58d274a0482b1510d6e6734201ae9c0bd1b821a1)) +* displayed submittedAt diverging its DB sort key ([3f988f1](https://github.com/AustralianBioCommons/sbp-backend/commit/3f988f1032437d8f11aa1d81fdfc776fb80a4aa9)) +* Dockerfile for uv run command ([0e53194](https://github.com/AustralianBioCommons/sbp-backend/commit/0e531945955431ea7db487acdb1ab8ea795b1a92)) +* Dockerfile for uv run command ([d48f4a1](https://github.com/AustralianBioCommons/sbp-backend/commit/d48f4a16cf4ee095db1835c29f2ed4b96e2c72c1)) +* don't write prerun scripts to the database, add them at launch time ([#89](https://github.com/AustralianBioCommons/sbp-backend/issues/89)) ([20337c3](https://github.com/AustralianBioCommons/sbp-backend/commit/20337c38c083e976c88e6acaaa1a9a7126740d5f)) +* drop stale name-only unique index ([00c0514](https://github.com/AustralianBioCommons/sbp-backend/commit/00c0514aedcfc4481d8edb6b7572cd4464ae3000)) +* drop stale name-only unique index ([359988d](https://github.com/AustralianBioCommons/sbp-backend/commit/359988dafb842ee64fd3c66a87760f94ed46624c)) +* errors in fetching max score shouldn't block jobs list ([#75](https://github.com/AustralianBioCommons/sbp-backend/issues/75)) ([b0b4477](https://github.com/AustralianBioCommons/sbp-backend/commit/b0b4477da64cad33a0162ecb3777561cfe231050)) +* exclude sbp_credit from order_by ([b96748f](https://github.com/AustralianBioCommons/sbp-backend/commit/b96748f51d2bea05dd0c7089e5aa41903884da4e)) +* filter single prediction results ([865c624](https://github.com/AustralianBioCommons/sbp-backend/commit/865c624b855ba7496cee57aaffa6461696fb251a)) +* filter single prediction results ([23be7d5](https://github.com/AustralianBioCommons/sbp-backend/commit/23be7d5c6db120909b8ff78452e74162348ccc1c)) +* fix comment string ([255606c](https://github.com/AustralianBioCommons/sbp-backend/commit/255606ccf949d1535ac7df051323237abc242f80)) +* fix null values in workflows on admin views ([464beb9](https://github.com/AustralianBioCommons/sbp-backend/commit/464beb9501a33fa82008b45b468c58628dddd223)) +* fix out_dir in proteindj workflow ([32eaf54](https://github.com/AustralianBioCommons/sbp-backend/commit/32eaf54b0d8443b06a008ab647849d33313de948)) +* force missing transfer files ([40fcb0f](https://github.com/AustralianBioCommons/sbp-backend/commit/40fcb0ff65620b63243a144cc6aab76d8c266737)) +* format ([11afe67](https://github.com/AustralianBioCommons/sbp-backend/commit/11afe67e391c4a5c1228e799576a8127d027fbae)) +* grant ([fda31d5](https://github.com/AustralianBioCommons/sbp-backend/commit/fda31d511907a7488a8c000c87ad3131dee17234)) +* hardcode max concurrent workflows from now ([555f9a6](https://github.com/AustralianBioCommons/sbp-backend/commit/555f9a64bb1d7a638ab17e5f177439afe0f4c144)) +* imports ([e6542e4](https://github.com/AustralianBioCommons/sbp-backend/commit/e6542e407a95666a29478fb343b6e6bc56c120ac)) +* improved data transfer sync logic (SBP-535) ([#149](https://github.com/AustralianBioCommons/sbp-backend/issues/149)) ([984ec28](https://github.com/AustralianBioCommons/sbp-backend/commit/984ec286e23e7732a00f0f265eb395e32388f685)) +* include tool name in job search ([f9439e0](https://github.com/AustralianBioCommons/sbp-backend/commit/f9439e0cee4ca16f26a46db251d5094ef5fbb64d)) +* include tool name in job search ([9386da8](https://github.com/AustralianBioCommons/sbp-backend/commit/9386da87b3433c93310768992648dfe8bf96e239)) +* interpret PBS qtime/stime as Australia/Sydney, not UTC ([074d686](https://github.com/AustralianBioCommons/sbp-backend/commit/074d686251ea729ba59f1afd6cad895d7efa113e)) +* interpret PBS qtime/stime as Australia/Sydney, not UTC ([417ebee](https://github.com/AustralianBioCommons/sbp-backend/commit/417ebee190cb6de1b5d8089ce3fb552f7f273540)) +* job scheduler database sessions ([#136](https://github.com/AustralianBioCommons/sbp-backend/issues/136)) ([b8ee3b5](https://github.com/AustralianBioCommons/sbp-backend/commit/b8ee3b578b9cd09e55b0fc39e417e2efa7b1471f)) +* lint ([fd98963](https://github.com/AustralianBioCommons/sbp-backend/commit/fd989632275cc65b81a68c7ddf44d0c38aef3f90)) +* lint ([04a0cf0](https://github.com/AustralianBioCommons/sbp-backend/commit/04a0cf0cc7f3c0f8d602d7333124cd3d54ebc4cb)) +* lint ([a54f8c0](https://github.com/AustralianBioCommons/sbp-backend/commit/a54f8c07d31c31a68c7a97ac177625047447d056)) +* lint ([cf31110](https://github.com/AustralianBioCommons/sbp-backend/commit/cf311103ba624a72b9e5dd81e996678ceeb93367)) +* lint ([bb6bdb0](https://github.com/AustralianBioCommons/sbp-backend/commit/bb6bdb0a0cb917882c4629cb660d28c5284f3a22)) +* lint ([c4d6bc2](https://github.com/AustralianBioCommons/sbp-backend/commit/c4d6bc24a8fef3b03e3524295d6cae5000a4a0e0)) +* lint ([ee8dc98](https://github.com/AustralianBioCommons/sbp-backend/commit/ee8dc98965305c3b70ce81b0b59215819e62f83d)) +* lint ([35c9ef8](https://github.com/AustralianBioCommons/sbp-backend/commit/35c9ef86c2c4290ed08cf3777cca3ed93eaea826)) +* lint ([7393430](https://github.com/AustralianBioCommons/sbp-backend/commit/73934304cc2e6e4b236a7cccf9e17828be783431)) +* lint ([ebae901](https://github.com/AustralianBioCommons/sbp-backend/commit/ebae90138718d060696053f99d16a2ddcd91637a)) +* lint ([c41d1de](https://github.com/AustralianBioCommons/sbp-backend/commit/c41d1dec2aba39b1f7f93bc08c29961850a79a3a)) +* lint ([55d34dd](https://github.com/AustralianBioCommons/sbp-backend/commit/55d34dd4f782b5cd8ece3a4c9d0cde873db62cf0)) +* lint ([e71a3a1](https://github.com/AustralianBioCommons/sbp-backend/commit/e71a3a1584b513fae1fb00466d5d73e54f7c4cc0)) +* lint ([8e60f62](https://github.com/AustralianBioCommons/sbp-backend/commit/8e60f62ab407d86dd6540283b4488cf52474c3ad)) +* lint ([0d8b5a3](https://github.com/AustralianBioCommons/sbp-backend/commit/0d8b5a32a427b8d7ca9e58babc2825ed05122e07)) +* lint ([0449229](https://github.com/AustralianBioCommons/sbp-backend/commit/044922949e9a318a800e0d68a7643ded1291f466)) +* lint ([291b354](https://github.com/AustralianBioCommons/sbp-backend/commit/291b35480ad29c850e75d27b09a558caf44dc2dd)) +* lint ([bdd973b](https://github.com/AustralianBioCommons/sbp-backend/commit/bdd973bb63a52e9753cd3b1d812557a8d802a35f)) +* lint - black ([cc113d2](https://github.com/AustralianBioCommons/sbp-backend/commit/cc113d2cc29271346855474feec34d6cf0b4f064)) +* lint black ([ab7d405](https://github.com/AustralianBioCommons/sbp-backend/commit/ab7d4051a40efbf116d904c026d379905fd52784)) +* log admin user email when updating user credits ([7b734cd](https://github.com/AustralianBioCommons/sbp-backend/commit/7b734cd1b9ffba925d38a25e9af9d87b3c1ae1a7)) +* make and use right migration file ([b70d964](https://github.com/AustralianBioCommons/sbp-backend/commit/b70d9647a559cf617060d6d50231fe4b764f7933)) +* make CreditBasis flow end-to-end ([2873c5a](https://github.com/AustralianBioCommons/sbp-backend/commit/2873c5a5867cd425075513271fd7299507760b85)) +* manually click force again to update ([8c2571f](https://github.com/AustralianBioCommons/sbp-backend/commit/8c2571f4b133f69db13d03c67b3b76eb9e7673a1)) +* max traj only applies to de-novo designs ([fe41f68](https://github.com/AustralianBioCommons/sbp-backend/commit/fe41f68a5dc88225b01ab0b82edc8bebffc5ebfc)) +* merge dev ([3488313](https://github.com/AustralianBioCommons/sbp-backend/commit/3488313724a9d3684e5aa1455ed01bd4090290e8)) +* merge workflow repo staging cache and ([daab56f](https://github.com/AustralianBioCommons/sbp-backend/commit/daab56fe694dccbf73c136c0c7448dfed53fcc3a)) +* merge workflow repo staging cache and ([af62926](https://github.com/AustralianBioCommons/sbp-backend/commit/af62926699ac226cdce336ca747032240aaba700)) +* migration for submission timestamp ([e1f1623](https://github.com/AustralianBioCommons/sbp-backend/commit/e1f162305a9cff32faef27fce93f6a2f9d558bbc)) +* minor admin improvements ([#151](https://github.com/AustralianBioCommons/sbp-backend/issues/151)) ([d259e5b](https://github.com/AustralianBioCommons/sbp-backend/commit/d259e5b80a17e65f367927721c730597ddc540a1)) +* move SBP_USER_CREDIT_ALLOWANCE and ([c921402](https://github.com/AustralianBioCommons/sbp-backend/commit/c9214026b6452bbf5fd185232262111f9687babd)) +* normalise full_name using unidecode ([3bd77e0](https://github.com/AustralianBioCommons/sbp-backend/commit/3bd77e0535b6b1fd758593127f316ec4248d521d)) +* nxf_assets and gadi path for workflow ([83a107f](https://github.com/AustralianBioCommons/sbp-backend/commit/83a107f21d4964b63ffee893912eb3fcac7f405b)) +* optional data_transfer_id and rmeove backfill ([66b220c](https://github.com/AustralianBioCommons/sbp-backend/commit/66b220c5fd7261a4e1dcb8a26e2ded4304e5a04b)) +* out_dir params ([2def2a2](https://github.com/AustralianBioCommons/sbp-backend/commit/2def2a2478b12f74a5e6acb22582f2eaaa96ea97)) +* out_dir params ([5691624](https://github.com/AustralianBioCommons/sbp-backend/commit/569162464db6cd2306e8a22a21924d6f5aa7935f)) +* override the content block for pk-trunc fix ([62ad8ca](https://github.com/AustralianBioCommons/sbp-backend/commit/62ad8caa4b1b7d0d0fd7312c707ce73ad2035ef8)) +* prefer email first ([faf15b2](https://github.com/AustralianBioCommons/sbp-backend/commit/faf15b265c697ea83211df15f6b756465723b6a7)) +* profile format ([5565e18](https://github.com/AustralianBioCommons/sbp-backend/commit/5565e181487fed364c38c20ec768dad2424c9e35)) +* qstats job command ([52dbfcb](https://github.com/AustralianBioCommons/sbp-backend/commit/52dbfcbfa5fa736c80c1d464d650d6eee79194f3)) +* qstats job command ([e5a0788](https://github.com/AustralianBioCommons/sbp-backend/commit/e5a0788c09566793a2d5062750e61182b98af8b3)) +* refactor error handling ([36846ce](https://github.com/AustralianBioCommons/sbp-backend/commit/36846cef2923ab2f29a1d10e80dc4890db0d3a30)) +* refactor migration head ([bfa1aa5](https://github.com/AustralianBioCommons/sbp-backend/commit/bfa1aa5b8abd2e411f77097495db25812465d910)) +* remove _has_column() for admin.py ([87d6529](https://github.com/AustralianBioCommons/sbp-backend/commit/87d6529dd0e87a2b95225408a4258ee346cf430e)) +* remove auth configs fallback ([25c2b88](https://github.com/AustralianBioCommons/sbp-backend/commit/25c2b88033135ba4510187458c9e731cbfb2d165)) +* remove CIF format support from AlphaFold and ColabFold ([aa81cf6](https://github.com/AustralianBioCommons/sbp-backend/commit/aa81cf6fd8a909157da72cb68d4a747b2a4f59e9)) +* remove confusing user_admin_routers ([0846610](https://github.com/AustralianBioCommons/sbp-backend/commit/0846610382b18cba2a3b3cbe5d4672c76de0361c)) +* remove cost estimates in backend ([b375faf](https://github.com/AustralianBioCommons/sbp-backend/commit/b375faf5b8d83a91d70753861bbf0ac2075371c5)) +* remove demo code ([b3bbc29](https://github.com/AustralianBioCommons/sbp-backend/commit/b3bbc29f456ee5f67393bee191259921087eb4f5)) +* remove formulas ([6db83c8](https://github.com/AustralianBioCommons/sbp-backend/commit/6db83c8becae7d8b5fd57763293c6ca3cc9405dc)) +* remove group in bulk prediction dataset ([5251a8f](https://github.com/AustralianBioCommons/sbp-backend/commit/5251a8f620ea165fc7a8998f851f678e71c63865)) +* remove limit and offset ([f685e06](https://github.com/AustralianBioCommons/sbp-backend/commit/f685e068331c1b8f7a54b0d25f118dbcf0299538)) +* remove not needed comments ([7f46a7b](https://github.com/AustralianBioCommons/sbp-backend/commit/7f46a7be5b4a728144e984e3a41cfbd41cd133ec)) +* remove path ref to GADI push script ([88823e6](https://github.com/AustralianBioCommons/sbp-backend/commit/88823e6e54eb57419e2f9a0d80dc993ba47fa952)) +* remove project in proteinfold config ([745805f](https://github.com/AustralianBioCommons/sbp-backend/commit/745805f1a52e8454d0ccdb36e5f0984e6b28e4a1)) +* remove refresh param from user-facing endpoints ([3f4014b](https://github.com/AustralianBioCommons/sbp-backend/commit/3f4014bc2d7132ad074890f8f410bae39dddc0de)) +* remove seqera dataset ([4b443c9](https://github.com/AustralianBioCommons/sbp-backend/commit/4b443c97853090fc59c895a145612fd033763805)) +* remove timestamp, username, jobid ([ab7bd65](https://github.com/AustralianBioCommons/sbp-backend/commit/ab7bd655b9d9251183f6b1e169bb502cd532c082)) +* remove unsued params in bindflow ([95f1714](https://github.com/AustralianBioCommons/sbp-backend/commit/95f1714b4b89a5bd699a9572c27a11241d16f6a2)) +* remove unused details in executor and config ([90693ed](https://github.com/AustralianBioCommons/sbp-backend/commit/90693ed79107e66d3e2b0bd7fa91b6dc9186e1fd)) +* remove unused user details ([62a07bf](https://github.com/AustralianBioCommons/sbp-backend/commit/62a07bfa1b446ba760bcd626809b3c24155763de)) +* removed unintended added changes ([ee2a57e](https://github.com/AustralianBioCommons/sbp-backend/commit/ee2a57e25676834dcda9da74530a3e4b8e2fef61)) +* replace before_save by before_update and ([70b83fd](https://github.com/AustralianBioCommons/sbp-backend/commit/70b83fda593b49821e46fe4fb4048d25646b1ebf)) +* replace before_save by before_update and ([e964cee](https://github.com/AustralianBioCommons/sbp-backend/commit/e964cee2497c2db51e1f954145d756ffca4f9d6d)) +* replace tar by pdb in rfdiffusion regex ([317e299](https://github.com/AustralianBioCommons/sbp-backend/commit/317e29939a3bc47d3374caa796cd2e62b2135d00)) +* replace tar by pdb in rfdiffusion regex ([a2a4df0](https://github.com/AustralianBioCommons/sbp-backend/commit/a2a4df0ba7cf720f004cc4acf4b1be8e5bd83aaa)) +* require repo url and config path ([351a28c](https://github.com/AustralianBioCommons/sbp-backend/commit/351a28c542da81549b0371629f00fdbdb7924d7e)) +* required params ([fdd9b66](https://github.com/AustralianBioCommons/sbp-backend/commit/fdd9b667959517a995e1b20818ab4fb2a79fcbdf)) +* restore Dockerfile ([ec0d408](https://github.com/AustralianBioCommons/sbp-backend/commit/ec0d4082bcceeae66e7f80bfc3c50ec4dde5b9e2)) +* restore Dockerfile ([9be34bc](https://github.com/AustralianBioCommons/sbp-backend/commit/9be34bc8bd83446e18bd6af047cc6f394f81742a)) +* rounded NCI service units field ([ec62f35](https://github.com/AustralianBioCommons/sbp-backend/commit/ec62f35da91e43c7ab569997e3916be309d51db5)) +* run id handling in admin dashboard ([4448f7e](https://github.com/AustralianBioCommons/sbp-backend/commit/4448f7e19d9a4f588f84dc55f4fa34f36e42be34)) +* run outputs table in admin dashboard ([b672a9d](https://github.com/AustralianBioCommons/sbp-backend/commit/b672a9d7ee510c00de8ecd03bc73f5ef222435ba)) +* sample ID handling ([#68](https://github.com/AustralianBioCommons/sbp-backend/issues/68)) ([5cc7409](https://github.com/AustralianBioCommons/sbp-backend/commit/5cc740989f515990dbd22427611d956800e6bca4)) +* set de-novo-design run name from form job name ([#48](https://github.com/AustralianBioCommons/sbp-backend/issues/48)) ([f56ab56](https://github.com/AustralianBioCommons/sbp-backend/commit/f56ab561d05dda522f75e0c4ba5e915296eab6a6)) +* set default port ([#135](https://github.com/AustralianBioCommons/sbp-backend/issues/135)) ([9a33aae](https://github.com/AustralianBioCommons/sbp-backend/commit/9a33aaeac5d01969dfc8d094717913c74de2b73d)) +* set skip_source_errors for Globus transfers ([#157](https://github.com/AustralianBioCommons/sbp-backend/issues/157)) ([2439c48](https://github.com/AustralianBioCommons/sbp-backend/commit/2439c483ba50fa55ef0463bd10fd9ed914934ab0)) +* show SU usage from NCI on admin dashboard ([d1b5014](https://github.com/AustralianBioCommons/sbp-backend/commit/d1b50149b5748f811d8ff639fc7541cdbacde434)) +* show SU usage from NCI on admin dashboard ([890d79b](https://github.com/AustralianBioCommons/sbp-backend/commit/890d79b5539842bd8d4f78c2b47596d5fb0921bb)) +* simplify round and sort fields ([5bf1bc1](https://github.com/AustralianBioCommons/sbp-backend/commit/5bf1bc1b098cb1b04728fadd53f8aff11558882c)) +* simply to hardcode to SYD/MEL timezone ([2218284](https://github.com/AustralianBioCommons/sbp-backend/commit/22182844a6a00e2b54c9a7169647a8567e02a1a4)) +* skip score for workflows unexpected situations ([79d5a9b](https://github.com/AustralianBioCommons/sbp-backend/commit/79d5a9b124cb31aaf9f695e69faadcf3735284f1)) +* skip score for workflows unexpected situations ([eea69d5](https://github.com/AustralianBioCommons/sbp-backend/commit/eea69d54f181eb2696acdae69d8d229bc4d50c84)) +* slow health-check interval to 5 minutes per review feedback ([3d65f32](https://github.com/AustralianBioCommons/sbp-backend/commit/3d65f321a4f9254d2d4767f80b47b3b25b1113e1)) +* small fixes for workflow run syncing ([#122](https://github.com/AustralianBioCommons/sbp-backend/issues/122)) ([0161a6a](https://github.com/AustralianBioCommons/sbp-backend/commit/0161a6a6b46f06685e507f12dd4157c07b2eb0c1)) +* sort jobs by score server-side ([6d98905](https://github.com/AustralianBioCommons/sbp-backend/commit/6d98905734759685f7b6cd10a25dd91d336e3fc2)) +* sort jobs by score server-side ([3e6b79e](https://github.com/AustralianBioCommons/sbp-backend/commit/3e6b79ef4eb74f61254c2f94a4c5ab636ed34959)) +* split routes to admin-facing and user-facing ([c5c4ee5](https://github.com/AustralianBioCommons/sbp-backend/commit/c5c4ee5536603e339440b3f2c8003eb85c6e1b14)) +* split to admins.py new file ([96f416c](https://github.com/AustralianBioCommons/sbp-backend/commit/96f416c0de907d89337a0650a351a1720eb0d9b4)) +* switch the list endpoint to accept page and per_page ([fbca3a3](https://github.com/AustralianBioCommons/sbp-backend/commit/fbca3a39150253b36cb0271703153c8e58aaa7ca)) +* test ([538cbf7](https://github.com/AustralianBioCommons/sbp-backend/commit/538cbf7d33470fcf762b4cb4d413951eacf3eb9c)) +* tests ([fc6e3cd](https://github.com/AustralianBioCommons/sbp-backend/commit/fc6e3cd6385c2767559311fd7398b5268429496d)) +* tests ([86d0d6f](https://github.com/AustralianBioCommons/sbp-backend/commit/86d0d6f88032fa1a9019ccf95c01e94fad73fbf3)) +* tests ([865c79b](https://github.com/AustralianBioCommons/sbp-backend/commit/865c79bcc724ccc1bae7611b8a9b8bd869d3af68)) +* tests ([e1b40e4](https://github.com/AustralianBioCommons/sbp-backend/commit/e1b40e4fb081a9c4169379ec71e4015bf5e2f8c3)) +* tests ([81fb124](https://github.com/AustralianBioCommons/sbp-backend/commit/81fb124910970117af8d165f665399d120039cb1)) +* tests ([bc9e885](https://github.com/AustralianBioCommons/sbp-backend/commit/bc9e88553c86db40eea0ee2e3e345b4b34755454)) +* tests ([cf4bea4](https://github.com/AustralianBioCommons/sbp-backend/commit/cf4bea4c2d49bb22fb9f6030809959560a188482)) +* tests ([506480f](https://github.com/AustralianBioCommons/sbp-backend/commit/506480fb0eac938d0aeeb77b3d20a45d81f33bd9)) +* tests ([9f32174](https://github.com/AustralianBioCommons/sbp-backend/commit/9f3217409333f685d9b78ead1feff902b92c1590)) +* tests ([6476a69](https://github.com/AustralianBioCommons/sbp-backend/commit/6476a69555d0cf8c943277f17e18cb3e36143b95)) +* timezone for monthly trigger to avoid DST ([59eed77](https://github.com/AustralianBioCommons/sbp-backend/commit/59eed77630692908691265e6ffb1e2fb5819bc89)) +* toolMultipliers is now typed as dict[WorkflowTool, int] ([d9362f6](https://github.com/AustralianBioCommons/sbp-backend/commit/d9362f6b089ec9484f70bf31301464949a5575ef)) +* turn missing file transfer back to pending ([2fdbcd2](https://github.com/AustralianBioCommons/sbp-backend/commit/2fdbcd245199893733e080eaacd7fae2561615f6)) +* update .env example ([26c5925](https://github.com/AustralianBioCommons/sbp-backend/commit/26c5925cdb31b55e14b56fa755a810dc1ec89ec5)) +* update auth variable names ([ab7d65a](https://github.com/AustralianBioCommons/sbp-backend/commit/ab7d65a0d06e580b88c8c4136502ada089e77d32)) +* update auth variable names ([adf23f8](https://github.com/AustralianBioCommons/sbp-backend/commit/adf23f86776c2895f709e50c98b2200bce142615)) +* update completed sync time ([24566a0](https://github.com/AustralianBioCommons/sbp-backend/commit/24566a087453edc9bd9d3c227b58e7bd7516e484)) +* update config path ([6bdf269](https://github.com/AustralianBioCommons/sbp-backend/commit/6bdf2695be6b01f90d4926acb019fc9558427f2a)) +* update credit cost ([885d8a9](https://github.com/AustralianBioCommons/sbp-backend/commit/885d8a9b88f558d4fc296d42f01054c0032c3513)) +* update credit cost ([eaebb65](https://github.com/AustralianBioCommons/sbp-backend/commit/eaebb6559bfff973c489bc92426bb94d892ab372)) +* update datasets service tests ([8878a0b](https://github.com/AustralianBioCommons/sbp-backend/commit/8878a0b834f88405ada9893a6fcab177e822266f)) +* update job completed if score is valid ([351c61f](https://github.com/AustralianBioCommons/sbp-backend/commit/351c61fb3dec79d71ccf2bb2a21f8c00d79f256c)) +* update lock file so rdkit installs ([68e71ba](https://github.com/AustralianBioCommons/sbp-backend/commit/68e71ba161fd61b21a769a0d9cb0b6c4aa681616)) +* update lock file so rdkit installs ([bf93619](https://github.com/AustralianBioCommons/sbp-backend/commit/bf93619e4c19a51daf226cc0359020d8cb7716ed)) +* update output to support cif file formats ([6fb4f57](https://github.com/AustralianBioCommons/sbp-backend/commit/6fb4f5757c5b3b48021e4a88ceb4a054815df54c)) +* update placeholder max score in rfdiffusion ([8bb9b30](https://github.com/AustralianBioCommons/sbp-backend/commit/8bb9b30426bb73355ece01128c308d146ef4ddae)) +* update placeholder max score in rfdiffusion ([55b5d52](https://github.com/AustralianBioCommons/sbp-backend/commit/55b5d528660e2500bceff55da362ca1602ef49c8)) +* update related tests ([429f489](https://github.com/AustralianBioCommons/sbp-backend/commit/429f48948620b27ab98157538c8db33e7e850f43)) +* update schema diagram ([f8df2cc](https://github.com/AustralianBioCommons/sbp-backend/commit/f8df2ccc72504839ae583042e5f070caf0d1da87)) +* update single prediction cost multiplier ([aa51be2](https://github.com/AustralianBioCommons/sbp-backend/commit/aa51be283e2239d0ecc79d173f40349a82f78309)) +* update single prediction cost multiplier ([63dfd7e](https://github.com/AustralianBioCommons/sbp-backend/commit/63dfd7ec8ad3d127ca40405840a2c34ac60fdb23)) +* update tests ([d5138c6](https://github.com/AustralianBioCommons/sbp-backend/commit/d5138c617863c5ca75f52ca82bca59d4eda37f01)) +* update tests ([035546d](https://github.com/AustralianBioCommons/sbp-backend/commit/035546def5a5de2a82069889aef5d7012c307c27)) +* update tests for admin view ([41c2007](https://github.com/AustralianBioCommons/sbp-backend/commit/41c20077f45c20b17107f930ce5f5c81afb7bb62)) +* update to nextflow 25.10.4 ([4a1f521](https://github.com/AustralianBioCommons/sbp-backend/commit/4a1f521eb5e2b9edc570526a6962c8895c5a74fa)) +* use --no-sync in uv run to prevent dev dep sync at container startup ([8f8e761](https://github.com/AustralianBioCommons/sbp-backend/commit/8f8e761bbc57a03cffebf99dd22ecfaa2ade5012)) +* use --no-sync in uv run to skip dev dep sync at container startup ([9aeff25](https://github.com/AustralianBioCommons/sbp-backend/commit/9aeff255a9a261182d816d3566fda5cbe654b4ae)) +* use --no-sync in uv run to skip dev dep sync at container startup ([fb8e0eb](https://github.com/AustralianBioCommons/sbp-backend/commit/fb8e0ebae686fbe8b20540ee493aea398643988c)) +* use internal run ids for job/result endpoints (SBP-421) ([#97](https://github.com/AustralianBioCommons/sbp-backend/issues/97)) ([4b7b17b](https://github.com/AustralianBioCommons/sbp-backend/commit/4b7b17b72bec65d811d2eaca2a4bbc6ec9d605da)) +* use latest action versions ([03686bd](https://github.com/AustralianBioCommons/sbp-backend/commit/03686bd81e72b6f755154ac51978ce6a228e4a1b)) +* use proteindj instead bindflow ([53d63ac](https://github.com/AustralianBioCommons/sbp-backend/commit/53d63ac8c9c119c3cb870905387dabf9ccb93750)) +* use replace_existing so we don't try to insert duplicates in the DB ([#98](https://github.com/AustralianBioCommons/sbp-backend/issues/98)) ([9590040](https://github.com/AustralianBioCommons/sbp-backend/commit/95900409e6b1bf9b493ae93da39e3e19fc5deae0)) +* use right auth related configs ([d6268b1](https://github.com/AustralianBioCommons/sbp-backend/commit/d6268b12553a40e8d65bcadcdf97892073dabe43)) +* use same submission_timestamp ([346a528](https://github.com/AustralianBioCommons/sbp-backend/commit/346a52852a4561d16ffc0a905889a0f405055bf2)) +* workflow and dataset update ([a17bb2d](https://github.com/AustralianBioCommons/sbp-backend/commit/a17bb2d5142380eac75df0f92d990e4e15d03839)) +* workflow staging and nxf_asset ([8fcb2ee](https://github.com/AustralianBioCommons/sbp-backend/commit/8fcb2ee9905608b77f3fb8f42269781e25962c89)) +* workflow staging and nxf_asset comments ([ed659e5](https://github.com/AustralianBioCommons/sbp-backend/commit/ed659e56402bffca92c30b14932867e0fe8fc0ce)) +* wrong identity name for linked objects ([#153](https://github.com/AustralianBioCommons/sbp-backend/issues/153)) ([7a12b3e](https://github.com/AustralianBioCommons/sbp-backend/commit/7a12b3e3d7fa7b9984143fbe9a2bde42b18a58bd)) + + +### Performance Improvements + +* parallelize Seqera calls and batch DB query ([ca8ba6d](https://github.com/AustralianBioCommons/sbp-backend/commit/ca8ba6d08f15be5045b806c427d5cab941f3b49f)) +* parallelize Seqera calls and batch DB query ([170852c](https://github.com/AustralianBioCommons/sbp-backend/commit/170852cafefac09520666be123bb342f593e8c0b)) + + +### Reverts + +* drop unrelated workflows.py credit-cost change from this PR ([f3e4162](https://github.com/AustralianBioCommons/sbp-backend/commit/f3e4162738b3551f32ef8d5b26d089039cd73a40)) + + +### Documentation + +* add comments ([6264fac](https://github.com/AustralianBioCommons/sbp-backend/commit/6264fac08a92a2715c13ee4573ebce08c2c10d30)) +* add credit calculation reference ([695a4bb](https://github.com/AustralianBioCommons/sbp-backend/commit/695a4bb7a1ccf299988041b40fc3242033ac22b3)) +* add GADI_PROJECT in .env.example ([12fa0c2](https://github.com/AustralianBioCommons/sbp-backend/commit/12fa0c2ecd09b91e049fb1751fe54d903e01db8b)) +* add health check flags ([3613da3](https://github.com/AustralianBioCommons/sbp-backend/commit/3613da31ae254dcad44847e5ceb10bcf7ddb0777)) +* add load env docs in app scheduler ([3706861](https://github.com/AustralianBioCommons/sbp-backend/commit/3706861bc547bb725aea796cbb8e993d47586c14)) +* simpler comments ([4cbd0f7](https://github.com/AustralianBioCommons/sbp-backend/commit/4cbd0f7d2f6e94942c1c3b28f3af9d10cfc2f3de)) +* update GET /api/health/agent ([6bebbc8](https://github.com/AustralianBioCommons/sbp-backend/commit/6bebbc88e172115537f1c7fe0f8d622d34c47fdd)) +* update MAX_CONCURRENT_WORKFLOWS docs string ([14b382c](https://github.com/AustralianBioCommons/sbp-backend/commit/14b382c082e1ffb550be35664d3a44d83bee80db)) diff --git a/pyproject.toml b/pyproject.toml index 6960987..ab4e776 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta" [project] name = "sbp-backend" -version = "1.0.0" +version = "0.1.0" description = "Structural Biology Platform Backend API" requires-python = ">=3.14, <3.15" dependencies = [