Release History

Orion Version

Orion Platform Version

Release Date

End of Support

2023.1.1

5.0.0

2023/4

2024/4

2022.3.1

4.5.0

2022/11

2023/11

2022.2.1

4.4.0

2022/06

2023/06

2022.1.1

4.3.0

2022/02

2023/02

2021.2.1

4.2.2

2021/11

2022/11

2021.1.1

4.0.0

2021/06

2022/06

Orion Integration, Version 2023.1.1

v5.0.0

  • Bumps __api_version__ to 16.0

Orion Client

  • Improved support for V2 ShardCollections

Floe

  • This is the last release before the local runtime v1 will be deprecated. To use the new local runtime, specify FLOERUNTIME=v2.

  • Cyclic CubeGroups are now supported locally and in orion.

  • A bug in Floe connections has been fixed.

  • A bug in Floe detect has been fixed.

  • URLToFileCube has been added.

  • A bug with cycle configuration has been fixed in cases where component has no external source and none of the cubes in the component are sources.

  • The default string represetation for Cubes has been changed to prioritize using a cube’s name instead of title.

  • A validation check has been added to prevent floes from containing any disconnected cubes.

  • A FloeSpecConverter utility is documented, to convert between two different floe specification versions.

Orion Platform

  • Expose nullable argument to FieldParameters.

Orion Integration, Version 2022.3.1

  • NVIDIA driver during package inspection on GPU has been provided.

  • Floe and cube tags with nested lists will be flattened during package inspection.

  • Bug where writing empty molecule would fail a floe has been fixed.

  • Better error message when package failed inspection due to lack of memory has been implemented.

  • Requirement parsing during package ingestion was not always handling local paths properly. This has been fixed

  • Openeye-orionplatform[artemis] works with more recent versions of pytest.

  • Uploaded Docker images were always saved in a user’s data. There is now an option to delete the files after they are used.

  • Package uploading and processing has been improved.

v4.5.4

Orion Client

  • A bug affecting ShardCollection creation has been fixed.

v4.5.3

Orion Client

  • A bug was fixed that was preventing ocli packages create-environment-yaml from working with standard manifest files.

v4.5.2

Orion Client

  • A bug in support for collections in Orion releases older than 2022.2.1 has been fixed.

v4.5.1

Floe

  • A bug in floe description length validation has been fixed

v4.5.0

  • The minimum release of Orion now supported is 2021.2.1

Artemis

  • The maximum allowed version of pytest is now <=7.3.0

Orion Platform

  • A bug in BaseDatasetFieldAddOrReplaceCube where datasets were not finalized has been fixed.

Orion Client

  • ocli upload-package-image and ocli import-from-orion-file now include an option to delete the image file after processing.

  • ocli packages init now includes an example of how to use prebuild and postbuld hooks.

  • ocli cost export generates spending/storage cost reports.

  • orionclient.types.accounting.export_cost_report triggers cost report generation.

Floe

  • A bug causing a circular import when running floe unit tests has been fixed.

  • A new cube parameter, shared_memory_mb, has been added. This parameter allows manipulation of docker’s --shm_size parameter when containers are launched, thus modifying the amount of RAM available to /dev/shm/ within the container.

  • A bug preventing nested list tags from being corrected has been fixed.

  • Validation of floe description has been added. Descriptions must be <= 2712 characters.

v4.4.1 September 2022

Orion Client

  • An issue where orionclient.types.Shard.download() could receive less data than expected has been fixed. An IOError will be raised and orionclient.types.Shard.download_to_file() will catch and retry.

  • An issue where mutable default function parameters were defined has been fixed. Mutable default parameters are parameters with a default value of [] or {} that get initialized once at runtime and not per function call.

  • Parallel To Serial Initializer Cube scenarios that cause deadlock are now validated.

Orion Platform

  • Documentation for Collections has been improved.

v4.4.0 June 2022

Floe

  • A new runtime for running floes locally, which can be used by setting the environment variable FLOERUNTIME=v2, has been added.

  • The ability to more intelligently choose when to start cubes, which can be used by setting the environment variable EAGER=false, has been added. Only available with new floe runtime. This option is experimental and only available locally, not in Orion.

  • Validation of cube and floe tags and classification has been fixed. If tags are nested lists, they will be flattened.

  • Support for pathlib.PurePath in floe classification has been added.

  • Support for floe brief attribute, for a <= 280 character overview description of the floe, has been added.

  • Floe spec version 1.3 has been introduced.

Orion Client

  • ocli workfloes list-classifications has been added to browse classifications.

  • ocli workfloes list now supports classification and classification_depth filters.

  • orionclient.utils.TemporaryPath has been deprecated. utils.TemporaryPath should be used instead.

  • ocli packages init default template has been updated to pass opts to floe lint floes

  • python setup.py test-all/cubes/orion has been fixed to return a correct exit code on failure

  • An issue with importing convert_path has been fixed.

  • Setup_tasks.py package command logic has been relocated into orionclient helper functions. Package command logic now able to be maintained via orionplatform updates.

  • ocli projects leave has been added

  • ocli projects unshare has been modified to accept the new-owner option

DRConvert

  • Support for fields with None values and the nullable parameter set to True has been improved.

Orion Platform

  • ~orionplatform.parameters.fields.FieldSelectorParameter is now able to handle multiple field names when many=True.

  • --system-param option has been added to ocli jobs start for specifying system parameters.

  • --path option has been added to ocli jobs start for specifying the location for job output.

  • --project option has been added to ocli jobs start for specifying the project for job output.

  • --cost-notification option has been added to ocli jobs start for specifying job cost notification threshold.

  • --cost-termination option has been added to ocli jobs start for specifying job cost termination threshold.

v4.3.2 May 2022

DRConvert

  • An issue with import drconvert has been fixed.

v4.3.1 February 2022

Orion Client

  • An issue in the template ‘setup.py’ preventing python setup.py package from updating the version in ‘manifest.json’ has been fixed.

  • Curl has been added to template Dockerfile.

  • Template Dockerfile has been updated so resulting image is close to the one in Orion.

v4.3.0 February 2022

drconvert

Orion Client

  • Snowball dependency from template for ocli packages init command has been removed.

  • ocli files upload now reports uploaded location and filename.

  • ocli datasets upload now reports uploaded location and filename.

  • ocli collections upload now reports uploaded location and directory name, as well as containing dataset for shards.

  • ocli packages check-image now fails if floe inspection report contains errors.

Floe

  • An issue with Floe’s parameter default value validation has been fixed.

  • An error in floe detect when using a relative path from the command line has been fixed.

v4.2.7 November 2021

  • Floe parameter validation now always validates default values.

v4.2.6 November 2021

  • Upload timeout errors have been reduced.

  • The effect of the --timeout option on ocli commands is now more consistent.

  • Metric period in cube parameters has been modified to contain list of valid choices.

  • ‘dev’ and ‘convert’ extras requirement installations have been added.

  • Types.Chem.DesignUnit has been added to types stored on a molecule as generic data.

  • Improvements to the boilerplate Dockerfile printed by ocli packages show-dockerfile have been made.

v4.2.5 October 2021

Orion Client

  • A new command ocli packages import-from-registry for creating a package from an image pulled from a docker registry has been added.

  • A new command ocli packages import-from-orion-file for creating a package from an existing file in Orion has been added.

v4.2.4 October 2021

Orion Platform

  • CreateCollectionCube changes:

Orion Client

  • Snowball version pin and bounded orion-platform version in scaffold package generation has been removed.

v4.2.3 October 2021

Orion Platform

  • A bug causing ‘ShardReaderCube’ to fail when the ‘collection’ parameter is not required has been fixed.

v4.2.2 October 2021

Datarecord

  • A toolkit serialization bug affecting datarecord in orionplatform 4.1.0 and 4.2.0 has been mitigated.

v4.2.1 October 2021

Floe

  • A bug causing parameter modifications to be incorrectly parsed has been fixed.

v4.2.0 October 2021

Orion Client

  • ocli packages commands to download base images, create & upload packages images to Orion have been added.

  • The total number of parts are printed for each part uploaded during a multi-part file upload.

DRConvert

  • A failure caused by csv files containing no data for some columns has been fixed.

  • IUPAC names are no longer parsed, resulting in fewer column splits and ETL speedup.

  • A failure parsing lists of numbers has been fixed.

  • A bug in the naming of split columns has been fixed.

  • A failure when converting a record to OEB has been fixed. Fields with data that cannot be properly attached as generic data to a molecule are now skipped by default.

  • The drconvert command now supports a --verbose option.

v4.1.0 September 2021

  • Requirement changes:

    • Require OpenEye-toolkits >=2020.2.4

    • Bump maximum version of attrs

    • Bump minimum and maximum versions of chardet

    • Bump maximum version of click

    • Bump maximum version of requests-toolbelt

    • Remove structlog

    • Remove floe package dependency (functionality now built in)

Orion Client

  • A new command ocli packages init to create a Floe package template has been added.

  • A bug where ocli datasets list --project 1234 could fail to retrieve all data for large numbers of datasets due to a pagination error which would eventually create an unusable URL has been fixed.

  • ocli commands for sharing File, Dataset, and ShardCollection have been disabled in favor of Shared Workspaces and will now raise an exception instead.

  • ocli config project no longer unnecessarily prints all projects a user has access to.

  • ocli workspaces commands to create and list workspaces as well as add or remove users from a workspace have been added.

  • ocli config directory/profile is now forced to be created with read/write permissions for the owner only. All other access is disabled.

  • orionclient.types has been refactored into multiple modules; consumers should not be impacted.

Artemis

  • Issues related to internal testing have been fixed.

drconvert

  • A regression in perceiving basic molecular properties for SMILES and CSV has been fixed.

Floe

  • A bug causing cyclic floes to deadlock has been fixed.

  • A bug related to the termination of cyclic floes has been fixed.

v4.0.0 May 2021

Important

  • OpenEye-artemis, OpenEye-datarecord, OpenEye-drconvert, OpenEye-floe, and OpenEye-orionclient are no longer separate packages.

  • Orion Platform >= 4.0.0 will not work with stacks older than 2021.1 due to usage of new APIs

  • These packages MUST all be removed from Floe package requirements and from virtual environments. The OpenEye-artemis requirement should be replaced with ‘OpenEye-orionplatform[artemis]==4.x.y’, matching the version of the main Orion Platform package. Failing to make these changes will cause imports to fail.

  • Bumps OpenEye-toolkits to 2020.2.4

  • Bumps __api_version__ to 12.0

Orion Client

  • A field path has been added to Dataset, File, and ShardCollection.

    • Folder paths have the following forms:

      • /project/<project-id>/[user/<username>|workspace/<workspace-id>|team]/<path>

      • /organization/<path>

    • Folder paths begin with a /project/<project-id>/ OR /organization/ prefix. The project id is an int.

  • session.create_resource() now uses path as a key in params when resource_type is one of these types.

  • OrionSession methods added:

    • assign_paths calls the backend API for assign-path on a list of dictionary assignments mapping an object to its intended path

    • ls_path calls the backend API for ls with the given path and query parameters and returns the results.

    • stat_path calls the backend API for stat-path with the given path to determine the resource_type.

    • get_paths calls the backend API for get-path for the specified objects and returns their corresponding path(s)

    • create_paths calls the backend API for create-path to create folders with the specified paths

    • remove_paths calls the backend API for remove-path to remove the items at the specified paths

    • move_folder calls the backend API for move-folders to move the item at the specified path to the specified destination path.

    • A new command ocli cp to copy to/from an Orion folder has been added.

    • A new command ocli ls to list contents has been added.

    • A new command ocli mv to move a folder on Orion has been added.

    • A new command ocli rm to remove an item on Orion has been added.

    • A new command ocli head to peek inside a file or dataset has been added.

    • A new command ocli mkdir to create a folder on Orion has been added.

  • OrionSession changes:

    • is_authenticated has been simplified and now returns true if the session is properly configured

    • Increased retry_timeout from 5 minutes to 15 minutes

  • :py class:~orionclient.utils.Backoff changes:

    • Increased default cap from 30 to 90 seconds

    • Increased DEFAULT_BACKOFF_DICT cap to 90 seconds, except for status 500 which remains at 30 seconds

  • Dataset has been upgraded to use get_converter() and SmilesFileConverter.

  • 429s are now retried.

  • ocli timeout has been increased from 5 to 10 seconds.

  • ocli backoff cap is now relative to the timeout and max retries.

Orion Platform

Artemis

  • A new option, --rebuild-packages, ensures all packages are freshly built, deleting old packages.

  • A new option, --use-released-packages, disables package hashing and only uses packages that are already uploaded to Orion. Intended as a way to test packages once released to users.

Floe

  • Floe level promoted parameter groups to influence user interface display have been added. Created via floe.add_parameter_group(cube.existing_group) or floe.create_parameter_group("my_group_name", title="My Group", parameters=[cube.param, cube.param2, cube2.param])

  • Support for parameter group name attribute has been added.

  • Support for parameter group order and collapsed attributes to influence user interface display have been added.

  • cube.modify_parameter_group(cube.param_group, **fields) for modifying cube level parameter groups has been added.

  • floe.modify_parameter_group(floe.param_group, **fields) for modifying floe level parameter groups has been added.

  • A bug causing serial group output double counting when emitting to grouped neighbors has been fixed.

Bugfixes

  • A bug where an argument parser constructed in a floe package could conflict with floe detection has been fixed.

  • A deadlock caused by greater than 2GB aggregate of data emitted for a single item of work for a parallel cube has been fixed.

  • A bug where debug information requests to parallel cubes would hang has been fixed

DRConvert

  • A new Converter, SmilesFileConverter, has been added.

  • When converting CSV and SMILES format files to records, the original smiles are stored on output records.

  • A new function, get_converter(), has been added.

  • Link and JSONObject field data will no longer cause an error in record_to_mol.

Datarecord

  • py:class

    deprecated datarecord.utils.TemporaryPath has been removed

v3.1.3 January 2021

  • Requirement changes:

    • OpenEye-floe==0.12.2

      • FloeSpecConverter no longer raises error when converting to higher version.

      • Minor documentation fix for the default value of a Floe package’s base_os.

v3.1.2 December 2020

  • Requirement changes:

    • OpenEye-orionclient==3.1.2

      • AWS request ids are now logged from failed shard download/upload operations.

      • The timeout for shard downloads/uploads has been increased.

v3.1.1 December 2020

  • Requirement changes:

    • OpenEye-drconvert==1.1.3

      • Bump maximum supported version of attrs

    • OpenEye-orionclient==3.1.1

      • Bump maximum supported version of attrs

      • Bump maximum supported version of structlog

v3.1.0 November 2020

  • orionplatform.cubes.datasets.BaseDatasetFieldAddOrReplaceCube has been added.

  • If no file extension is provided to orionplatform.cubes.datasets.DatasetWriterCube’s output file parameter, the file format is now OEDB.

  • Requirement changes:

    • OpenEye-floe==0.12.0

      • Support for versioning of WorkFloes has been added.

      • Support for ordering of Parameters in the Orion UI has been added.

      • An issue that resulted in Serial Cube Group initializer ports not incrementing the counts has been resolved.

    • OpenEye-drconvert==1.1.2

      • Bump OpenEye Toolkits

    • OpenEye-orionclient==3.1.0

      • Bump OpenEye Toolkits

    • OpenEye-datarecord==3.0.1

      • Bump OpenEye Toolkits

v3.0.1 August 2020

  • Requirement changes:

    • OpenEye-drconvert==1.1.1

      • Minor documentation fix for OEDUConverter

v3.0.0 August 2020

  • Support for Python versions that are less than or equal to 3.6 is being deprecated in the next Orion release.

  • Design Unit support has been added to orionplatform.cubes.FileToRecordConverter and orionplatform.cubes.RecordsToFileConverter

  • Requirement changes:

    • OpenEye-floe==0.11.0

      Changes since 0.9.6

      • CubeTestRunner.set_parameters has been modified to trigger parameter validation and conversion on the underlying cube in order to support testing parameters which override get_runtime_value.

      • An issue that resulted in errors running a floe due to very slow Python imports has been resolved.

      • Issues with Cube inheritance and constructor parameters are now more thoroughly validated.

      • An issue related to memory overflows has been fixed.

      • floe detect now enables the Python fault handler.

      • Cube parameters and parameter groups are copied as cube instance attributes.

      • cube.modify_parameter(cube.param, **fields) checks if param belongs to cube.

      • When promoting parameter it is sufficient to provide promoted_name only.

      • The documentation of the disk_space and memory_mb parameters has been fixed to reflect the backend implementation. The units of both parameters are mebibytes (MiB == 1,048,576 bytes) rather than megabytes (MB). Also, notes regarding taking into account overheads by requesting a couple hundred MiB more than is required have been added.

      • The instance_tags parameter is deprecated and will be removed in the future.

      • Issue where running floes outside of Orion would not honor item_count has been resolved.

      • An issue causing local parallel cubes in a cycle to hang has been fixed.

      • An issue preventing large cube groups from passing validation has been fixed.

      • floe.api.ordering.cube_precedents now correctly returns upstream cubes.

      • An issue where the max value of Parallel Cube parameter item_count would allow overflows has been resolved and reduced from 100000 to 65535.

      • An issue where sink Cubes would hang when using an initializer has been resolved.

      • An issue where parameters with many and required set would allow no input to be set has been resolved.

      • An issue related to the default validation of parameters with many=False has been resolved.

      • An issue where the required attribute of promoted parameters would be ignored has been fixed.

      Breaking Changes

      • cube.parameters() and cube.parameter_groups() methods now list parameters that are attributes of cube instance, not attributes of cube class.

      • A ValidationError is now raised when the name of a Parameter or Port is the same as the name of one of the cube attributes, which previously caused this cube attribute to be shadowed unintentionally.

    • OpenEye-datarecord==3.0.0

      • Changed type string for field type datarecord.Types.Chem.DesignUnit from “DesignUnit” to “Chem.DesignUnit”

      • datarecord.utils.TemporaryPath has been deprecated. orionclient.utils.TemporaryPath should be used instead.

      • A field type datarecord.Types.Chem.DesignUnit for storing OEDesignUnits has been added.

      Breaking Changes

      • The implementation of datarecord has mostly moved to C++ in the toolkits.

    • OpenEye-drconvert==1.1.0

      • Support for OEDesignUnit has been added

      • The dependency on structlog has been removed

      • The log level of INFO statements has been decreased to DEBUG

    • OpenEye-orionclient==3.0.0

      • Added OEDesignUnit support for dataset upload and download

      • Support for uploading OEDU files to datarecords has been added to upload()

      • Orion server API version has been increased to require 5.0 or later.

      • A new type, Balance, has been added.

      • Support for retrieving cost information on a WorkFloeJob has been added. Cube cost will show automatically when using the --wait flag on jobs in the command line.

      • get_current_workfloe_job() has been added to help cubes running in Orion get the WorkFloeJob that the cube is running in.

      • A flag with-token has been added to ocli config profile to optionally create a profile using a token value.

      • datarecord.utils.TemporaryPath has been deprecated. TemporaryPath should be used instead.

      • The dependency on Click has been updated to >=6.7,<8.0.

      • To improve debugging capabilities, an additional request header has been added.

      • An issue where providing an organization id when sharing with Organizations would not make the data available globally.

      • orionclient.types.Dataset.records() now yields openeye.oechem.OEMolRecord

      • orionclient.session.in_orion() now correctly returns a boolean.

      Breaking Changes

      • Datetimes on Orion Client objects now contain seconds, format %Y-%m-%d %H:%M:%S

Bugfixes:

  • An issue with too frequent flushing in DatasetUpdaterCube has been fixed.

  • The DatasetAppenderCube now finalizes datasets.

v2.4.6 May 2020

  • Requirement changes:

    • OpenEye-floe==0.9.6

      • An issue causing memory overflows has been fixed

v2.4.5 April 2020

  • Requirement changes:

    • OpenEye-orionclient==2.6.3

      • The efficiency and reliability of ShardCollection.list_shards has been improved.

v2.4.4 March 2020

  • Requirement changes:

    • OpenEye-OrionClient==2.6.2

      • The dependency on OpenEye-Datarecord has been updated to >=0.13.0,<0.15.0.

      • An issue that broke python 3.5 support has been resolved.

      • An issue with the encoding of credentials has been fixed.

      • An issue in which uploading shards would not correctly retry has been fixed.

    • OpenEye-Floe==0.9.5

      • An issue that resulted in errors running a floe due to very slow Python imports has been resolved.

      • Issues with Cube inheritance and constructor parameters are now more thoroughly validated.

v2.4.3 March 2020

  • Issues with finding the primary molecule field and logging in RecordsToCollectionCube have been fixed.

  • The max parallelism of ParallelCloseShardsCube is now limited to 10.

  • Requirement changes:

    • OpenEye-floe==0.9.3

      • floe detect now has a flag --no-json to not inspect JSON files as Workfloes.

      • Validation of ports has been improved.

    • OpenEye-Datarecord==0.14.0

      • Infinite bounds in Range fields produce valid JSON.

    • OpenEye-Drconvert==0.7.3

      • The datarecord dependency has been updated to >=0.13.0,<0.15.0.

v2.4.2 February 2020

  • Requirement changes:

    • OpenEye-orionclient==2.6.1

      • Supports the OpenEye-floe 0.9.* series.

    • OpenEye-Drconvert==0.7.2

      • Support added for Float and Int vectors

      • Drconvert CLI now supports going from records to mols

    • OpenEye-floe==0.9.2

      • floe lint now incorporates errors and returns a non-zero exit code if it encounters an error.

      • floe.api.parameter has been deprecated in favor of floe.api.parameters. floe.api.parameter will be removed in the next major release of the OpenEye-floe package.

      • An issue that resulted in the loss of parameter groups at package ingestion has been resolved.

      • An issue that resulted in Cubes and Workfloes not being detected if the same UUID was used has been resolved.

v2.4.1 January 2020

  • Requirement changes:

    • OpenEye-floe==0.9.1

      • Internal Floe code, which was deprecated in previous Orion releases, and is no longer used, was removed.

v2.4.0 December 2019

  • Support for the OEZ format has been added to the following cubes:

    • orionplatform.cubes.collections.CollectionResizeCube

    • orionplatform.cubes.collections.CollectionToRecordsCube

    • orionplatform.cubes.collections.RecordsToCollectionCube

  • orionplatform.cubes.files.RecordsToRecordFileConverter now uploads its files in parts reducing the disk usage

  • Requirement changes:

    • OpenEye-floe==0.9.0

      • New parameters, which optionally enable metric collection for cubes have been added.

    • OpenEye-OrionClient==2.6.0

      • A new field owner has been added to ShardCollection.

      • Support for sharing and unsharing with organizations without IDs have been added.

v2.3.0: November 2019

  • Requirement changes:

    • OpenEye-floe==0.8.11

      • A new method WorkFloe.check_arguments(), which performs basic validation of runtime arguments without actually running a floe has been added.

      • ImportError for floe parameters when calling WorkFloe.from_json(no_imports=True) is no longer raised.

      • Parameter defaults are now validated when calling WorkFloe.validate(), unless the parameter requires a value to be given.

      • Validation of command line arguments for floes created with no_imports=True has been improved.

      • A ValidationError is now raised for unknown command line arguments.

      • The WorkFloe UUID in a specification is now included in the WorkFloe object upon instantiation.

    • OpenEye-Datarecord==0.13.0

      • Sets lower bound on OpenEye-toolkits>=2019.10.2

    • OpenEye-Drconvert==0.7.0

      • Sets lower bound on OpenEye-toolkits>=2019.10.2

    • OpenEye-orionclient==2.5.0

      • Sets lower bound on OpenEye-toolkits>=2019.10.2

v2.2.1 November 2019

Bugfixes:

  • The constructors of FieldParameter and its subclasses have been made compatible with py:class:floe.api.parameters.BaseParameter

v2.2.0 November 2019

  • Requirement changes:

    • OpenEye-floe==0.8.9

      • An error is now raised when attempting to emit more than the maximum allowed bytes onto a port.

      • An issue where re-use of a cube having an UUID assigned is incorrectly detected more than once has been fixed.

Bugfixes:

  • A duplicate of output_tags in the orionplatform.cubes.datasets.DatasetWriterCube Options parameter group has been removed.

v2.1.0 October 2019

  • orionplatform.cubes.datasets.BooleanSwitch and orionplatform.cubes.datasets.ParallelBooleanSwitch have been added.

  • FieldSelectorParameter which allows selecting fields by name has been added.

  • RecordBytesOutputPort allowing emitting records as bytes without having to deserialize them has been added.

  • limit parameter added to ShardReaderCube to allow streaming only some shards from a collection.

  • Requirement changes:

    • OpenEye-orionclient==2.4.0

      • Support for uploading files by parts added.

      • orionclient.types.Token added.

      • Closing shards in the same cube as it was created now logs a warning.

    • OpenEye-Datarecord==0.12.12

      • Support for reading records from stdin added.

    • OpenEye-floe==0.8.8

      • A new command floe html path/to/file to generate a simple HTML representation of a floe has been added.

      • Avoid importing code from cubes outside a cube group.

      • A bug related to exporting cycle information to JSON when ProxyCubes are involved has been fixed.

      • floe.api.floes.WorkFloe.from_json has new arguments to optionally remove rank and cycle details when reading a spec so that it can be resorted.

v2.0.1 September 2019

Bugfixes:

  • RecordsToCollectionCube now recovers from rare write errors.

  • Shard upload attempts have been increased to 10.

v2.0.0 August 2019

  • Requirement changes:

    • OpenEye-orionclient==2.2.0

      • Support for uploading packages via url has been added.

      • Support for Floe package deprecation and un-deprecation has been added. (Requires 3.0 API version)

      • A new command ocli packages download to download packages has been added.

      • A new command ocli config delete to delete profiles has been added.

      • Arguments --limit and --offset to listing commands for the CLI have been added.

      • Various bugfixes have been made.

v1.1.4 August 2019

  • Requirement changes:

    • OpenEye-floe==0.8.7

      • Promoted parameters can now be given a default name by using modify_parameter.

v1.1.2 August 2019

  • Requirement changes:

    • OpenEye-drconvert==0.6.19

      • The handling of conformer data on OEMolRecords and OEMols has been improved.

v1.1.0 August 2019

  • LinkFieldParameter has been added.

  • Requirement changes:

    • OpenEye-Floe==0.8.5

      • Minor bugfixes have been made.

    • OpenEye-OrionClient==1.2.0

      • The ability to untag resources has been added.

      • Additional fields have been added to ShardCollection and Shard objects

Bugfixes:

  • Occasional traceback in RecordsToCollectionCube has been fixed.

  • The name argument to orionplatform.parameters.FieldParameter and its derived classes is now optional, to match the defaults in Floe.

  • Input parameters can now be None if they are not required.

v1.0.2 July 2019

  • The verbosity of RecordsToCollectionCube has been decreased.

  • Documentation about using collections and batching work has been added.

  • Requirement changes:

    • OpenEye-Floe==0.8.4

      • The argument validation to the main thread has been moved and now delivers a cleaner error message.

      • Parsing parameters without any imports to enable Orion Client validation has been enabled.

    • OpenEye-Floe==0.8.3

      • Command line parameter messages to facilitate determining which parameters are unsatisfied has been improved.

v1.0.1 July 2019

  • Constants for DatasetInputParameter, CollectionInputParameter, CollectionOutputParameter, and SecretInputParameter parameter types have been added.

  • Requirement changes:

    • OpenEye-Floe==0.8.2

      • A debug mode to troubleshoot issues in cubes and keeps connections alive has been added.

      • A bug related to detecting cycles in Cube Groups has been fixed.

v1.0.0 June 2019

  • Requirement changes:

    • OpenEye-datarecord==0.12.11

      • The OEField names that are non-empty strings are now validated.

    • OpenEye-orionclient==1.0.0

      • The latest available HTTP endpoints can now be used.

      • API version validation is now performed upon communication with the server.

      • The --verify-ssl flag has been removed for ocli config profile

      • Prompts for Secret values on CLI have been added.

    • OpenEye-Floe==0.8.0

      • New simplified syntax for ports, parameters and Cubes have been added that allow for their names to be omitted.

Bugfixes:

  • An issue that prevented using files named with special characters (e.g., |, /, and >) has been fixed.

v0.3.2 June 2019

  • Requirement changes:

    • OpenEye-Floe==0.7.1

      • An issue with initializers that caused upstream cubes to hang indefinitely has been fixed.

v0.3.1 May 2019

Bugfixes:

  • An issue that caused orionplatform.parameters.FileStream to fail on local files if not authenticated in Orion has been fixed.

v0.3.0 May 2019

  • Requirement changes:

    • OpenEye-Floe==0.7.0

      • Handling of parameter validation has been improved.

      • The validate_default() method has been removed.

v0.2.3 May 2019

  • Requirement changes:

    • OpenEye-Floe==0.6.27

      • An issue that caused messages to be duplicated when sent from a Cube group to multiple downstream Cubes has been fixed.

    • OpenEye-Drconvert==0.6.18

      • An issue that caused an isomeric conf test to be enabled by default for SDF and MOL2 files, resulting in fewer records than expected, has been fixed.

      • Blob data is no longer written into CSV files.

      • An option to add the title of molecules to a field on the record has been added.

Bugfixes:

  • A default value of a FieldParameter no longer becomes the title if no title is provided.

  • FileInputParameter now correctly supports a dictionary with a single key file.

v0.2.2 May 2019

  • Requirement changes:

    • OpenEye-datarecord==0.12.10

      • A bug in datarecord.types.IntVec that stored certain values incorrectly has been fixed. All previous records that have such a field may be corrupt.

        • An datarecord.Types.IntVec that is known to only contain positive numbers is safe.

    • OpenEye-Floe==0.6.26

      • Floe detection has been improved to catch more issues before runtime and show the path where issues occurred in all cases.

      • Multiple cubes in a WorkFloe ca no longer have the same name.

      • All required ports now must be used at runtime.

      • The min_parallel default value has been reduced from of 1 to 0 to avoid running allocations when there is no work to be done.

Bugfixes:

  • ORION_CPU, ORION_GPU, ORION_MEM, ORION_DISK, ORION_TAGS, ORION_JOB_ID, ORION_PROJECT, and ORION_INSTANCE constants for *Orion* environment variables have been added.

  • DatasetAppenderCube, FileInputParameter, FileOutputParameter, BinaryFileReaderCube, CloseShardsCube, and ParallelCloseShardsCube have been added.

  • Types have been added to FieldParameter.

  • Optional validation has been added to CollectionResizeCube.

  • Requirement changes:

    • Requirements are now fully pinned

    • OpenEye-Floe==0.6.25

      • An issue where a required parameter with choices would require that the default is in the choices has been fixed. None is now a valid choice.

      • An issue where validate_default() for StringParameters to handle None defaults incorrectly has been fixed.

      • An issue that caused min_parallel and max_parallel parameters to not have a description field has been fixed.

    • OpenEye-orionclient==0.6.14

      • Collection commands on the CLI have been improved.

    • OpenEye-orionclient==0.6.13

      Bugfixes:

      • Silent failure of uploading datasets with files that aren’t supported has been fixed.

      • An internal server error that caused an issue with requests has been fixed. All requests are now retried.

      • Shard uploads on 400s are now retried.

Bugfixes

v0.2.1 March 2019

  • Requirement changes:

    • OpenEye-Floe>=0.6.24,<0.7.0

      • Minor bugfixes have been made.

      • Additional features for the CubeTestRunner have been added.

      • Improvements have been made to the network protocol.

    • OpenEye-drconvert>=0.6.16,<0.7.0

      • Minor bug fixes have been made.

Bugfixes

  • RecordsToCollectionCube no longer crashes when given records without metadata.

v0.2.0 January 2019

  • Cuberecord has been removed as a dependency in favor of simplified API added to the orionplatform library.

    • This API will replace Cuberecord going forward, though Cuberecord will continue to be usable within Orion.

v0.1.14 February 2019

  • Requirement changes:

    • OpenEye-drconvert>=0.6.15,<0.7.0

      • More options for conversions have been added. In addition, only a single pass for molecular formats that don’t contain SD data is now required.

    • OpenEye-datarecord>=0.12.9,<0.13.0

      • A new Link type and support with links have been added.

    • OpenEye-orionclient>=0.6.12,<0.7.0

      • New APIs have been provided for creating links from Orion Resources and retrieving the link data.

    • OpenEye-Floe>=0.6.22,<0.7.0

      • Local failures of parallel jobs has been fixed.

      • The default memory usage of cubes has been reduced from 2048 MB to 1800 MB.

      • The many argument to Parameters is now supported.

    • OpenEye-schemagen>=0.3.4,<0.4.0

      • More options for generating schemas has been added.

v0.1.13 January 2019

  • Requirement changes:

    • OpenEye-drconvert>=0.6.13,<0.7.0

    • OpenEye-datarecord>=0.12.7,<0.13.0

      • A new method flush() has been added to OERecord that writes all cached values to bytes.

    • OpenEye-schemagen>=0.3.3,<0.4.0

      • Minor cleanup has been performed.

v0.1.12 December 2018

  • Requirement changes:

    • OpenEye-drconvert>=0.6.12,<0.7.0

      • Whitespace in SD data is now handled.

    • OpenEye-floe>=0.6.19,<0.7.0

      • A bug where ProxyCubes had their specs cleared has been fixed.

    • OpenEye-orionclient>=0.6.10,<0.7.0

      • The Orion Client is now more robust to handling API changes.

      • Sharing no longer requires default permissions.

      • An issue with unsharing resources shared with organizations has been fixed.

v0.1.11 November 2018

  • Requirement changes:

    • OpenEye-floe>=0.6.18,<0.7.0

      • parameter_overrides are now honored locally.

    • OpenEye-datarecord>=0.12.6,<0.13.0

      • An issue which caused conformer titles to be missing has been fixed.

v0.1.10 November 2018

  • Requirement changes:

    • OpenEye-schemagen>=0.3.2,<0.4.0

    • SD data consisting of only whitespace now survives.

    • OpenEye-datarecord>=0.12.5,<0.13.0

    • More testing for metadata has been added.

    • A new metadata flag, Meta.Flags.Predicted, has been added to datarecord.

    • OpenEye-floe>=0.6.17,<0.7.0

    • A default value of 1000 for max_parallel parameter on Parallel cubes has been added.

    • The assumption that platform supports POSIX signal handling has been fixed.

v0.1.9 October 2018

  • Requirement changes:

    • OpenEye-schemagen>=0.3.1,<0.4.0

      • Delimiters are now ordered by descending priority.

    • OpenEye-orionclient>=0.6.9,<0.7.0

      • 0.6.9

        • Headers to improve debugging capabilities have been added.

      • 0.6.8

        • A new exception, OrionTimeout, has been added that indicates that a request couldn’t be made to the specified Orion within the expected time.

        • Several exceptions that were being raised in the CLI have been resolved.

    • OpenEye-floe>=0.6.15,<0.7.0

      • 0.6.15

        • An issue that caused parallel workers to incorrectly propagate failures when run in Orion has been fixed.

      • 0.6.14

        • A bug with promoted parameter titles in hypercubes has been fixed.

      • 0.6.13

        • Workfloe specification validation has been improved.

    • cuberecord>=0.16.3,<0.17.0

      • An issue with using fast_read parameter outside of Orion has been fixed.

v0.1.8 October 2018

  • Requirement changes:

    • OpenEye-orionclient>=0.6.7,<0.7.0

      • The reliability of configuring profiles using ocli config profile has been improved.

      • Uploading and downloading of shards is now retried.

      • A new ocli jobs watch command has been added.

      • The memory footprint of Dataset.records() iterator has been reduced.

    • OpenEye-datarecord>=0.12.4,<0.13.0

      • A minor bug where child records would get a extra field when deserialized has been fixed.

    • OpenEye-cuberecord>=0.16.2,<0.17.0

      • A memory leak in DatasetReaderCube has been fixed.

      • Improves the robustness of Collection handling

v0.1.6 September 2018

  • Requirement changes:

    • OpenEye-floe>=0.6.12,<0.7.0

      • 0.6.12

        • Includes parameter name in all validation errors.

        • A flag has been added to input buffers for whether an input request has been sent has been added.

    • OpenEye-orionclient>=0.6.5,<0.7.0

      • 0.6.5

        • A new organization_feedback_email attribute has been added to UserProfile.

      • 0.6.4

        • An open method has been added to ShardCollection.

        • open and close sub-commands have been added to the collections command.

        • Additional keyword arguments to list commands on the CLI.

        • ocli files list now has the --name and --project filters.

        • ocli datasets list now has the --name and --project filters.

        • ocli workfloes list now has the --name and --package filters.

        • ocli collections list-shards now has the --name filter.

        • ocli jobs list now has the --name filter.

        • ocli secrets list now has the --name filter.

        • ocli services list now has the --name filter.

        • An issue that caused the lose of filters on pagination when paginating large numbers of resources has been fixed.

v0.1.5 September 2018

  • Requirement changes:

    • OpenEye-cuberecord>=0.16.1,<0.17.0

    • OpenEye-datarecord>=0.12.3,<0.13.0

    • OpenEye-drconvert>=0.6.11,<0.7.0

    • OpenEye-schemagen>=0.3.0,<0.4.0

    • OpenEye-floe>=0.6.11,<0.7.0

    • OpenEye-orionclient>=0.6.3,<0.7.0

v0.1.4 September 2018

  • Explicit requirements for drconvert and schemagen have been added.

  • Trust semantic versioning is being honored for patches.