pythonworkflow/python-workflow-definition issues and pull requests

#128 - [Suggestion] Closer collaboration with CWL

Issue - State: open - Opened by jan-janssen 8 months ago

#127 - [Suggestion] Possible integration with AWL and its SPARQL interface

Issue - State: open - Opened by simontaurus 8 months ago - 1 comment

#126 - Support for control structures

Issue - State: closed - Opened by simontaurus 8 months ago - 3 comments

#125 - Update Quantum ESPRESSO to 7.4

Pull Request - State: open - Opened by jan-janssen 8 months ago

#125 - Update Quantum ESPRESSO to 7.4

Pull Request - State: open - Opened by jan-janssen 8 months ago

#124 - Debug NFDI example

Pull Request - State: open - Opened by jan-janssen 8 months ago

#124 - Debug NFDI example

Pull Request - State: open - Opened by jan-janssen 8 months ago

#123 - [New WfMS] Add support for NextFlow

Issue - State: open - Opened by jan-janssen 9 months ago

#122 - [New WfMS] Add support for Snakemake

Issue - State: open - Opened by jan-janssen 9 months ago

#121 - [Suggestion] Connect to RO-Crate

Issue - State: open - Opened by jan-janssen 9 months ago - 7 comments

#120 - Create CITATION.cff

Pull Request - State: closed - Opened by jan-janssen 9 months ago

#120 - Create CITATION.cff

Pull Request - State: closed - Opened by jan-janssen 9 months ago

#119 - [Suggestion] Add option to execute Python Functions in separate conda environments

Issue - State: open - Opened by jan-janssen 9 months ago - 2 comments

#118 - [Maintenance] Automatically increase version number when releasing a new tag

Issue - State: open - Opened by jan-janssen 9 months ago

#117 - [New WfMS] Pipefunc

Issue - State: open - Opened by JaGeo 10 months ago - 1 comment

#116 - [Documentation] Summarize supported Workflow Frameworks

Issue - State: open - Opened by jan-janssen 10 months ago

#115 - [Suggestion] Semantic annotation of workflows

Issue - State: open - Opened by jan-janssen 10 months ago

#114 - [Suggestion] Generalized Decorator

Issue - State: open - Opened by jan-janssen 10 months ago

#113 - Update notebooks

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#112 - Add json-to-Workfow function

Pull Request - State: closed - Opened by liamhuber 10 months ago

#112 - Add json-to-Workfow function

Pull Request - State: closed - Opened by liamhuber 10 months ago

#111 - [New WfMS] Implement Python Workflow Definition in pyiron_workflow

Pull Request - State: open - Opened by jan-janssen 10 months ago - 10 comments

#111 - Implement Python Workflow Definition in pyiron_workflow

Pull Request - State: open - Opened by jan-janssen 10 months ago

#110 - Aiida remove name parameter

Pull Request - State: closed - Opened by jan-janssen 10 months ago - 1 comment

#110 - Aiida remove name parameter

Pull Request - State: closed - Opened by jan-janssen 10 months ago - 1 comment

#109 - Move Workflow Management Systems to optional dependencies

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#109 - Move Workflow Management Systems to optional dependencies

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#108 - Update pyiron_base to 0.12.0

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#108 - Update pyiron_base to 0.12.0

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#107 - [Documentation] Workflow Packages in the Computational Materials Science Community

Issue - State: open - Opened by jan-janssen 10 months ago

#106 - Bump Version Number to 0.1.0

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#106 - Bump Version Number to 0.1.0

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#105 - [Suggestion] Dealing with the data node attribute "name"

Issue - State: open - Opened by GeigerJ2 10 months ago

#104 - `cwl.load_workflow_json` -> `cwl.pwd_to_cwl`

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#104 - `cwl.load_workflow_json` -> `cwl.pwd_to_cwl`

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#103 - `cwl.load_workflow_json` -> `cwl.pwd_to_cwl`

Pull Request - State: open - Opened by GeigerJ2 10 months ago

#103 - `cwl.load_workflow_json` -> `cwl.pwd_to_cwl`

Pull Request - State: closed - Opened by GeigerJ2 10 months ago

#102 - Move CWL functionality to init

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#102 - Move CWL functionality to init

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#101 - Extend arithmetic example

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#101 - Extend arithmetic example

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#100 - Add version number to JSON format

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#100 - Add version number to JSON format

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#99 - NFDI: provide source path as external variable

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#99 - NFDI: provide source path as external variable

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#98 - Implement export to cwl

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#98 - Implement export to cwl

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#97 - Add pydantic validation

Pull Request - State: closed - Opened by jan-janssen 10 months ago - 2 comments

#97 - Add pydantic validation

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#96 - Add result/output node

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#96 - Add result/output node

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#95 - Implement input node names

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#95 - Implement input node names

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#94 - Add pydantic models

Pull Request - State: closed - Opened by GeigerJ2 10 months ago - 3 comments

#94 - Add pydantic models

Pull Request - State: closed - Opened by GeigerJ2 10 months ago - 3 comments

#93 - Test NFDI4Ing issue

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#93 - Test NFDI4Ing issue

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#92 - Always define type in node definition

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#92 - Always define type in node definition

Pull Request - State: closed - Opened by jan-janssen 10 months ago

#91 - [Suggestion] Default `result` `sourceHandle`

Issue - State: open - Opened by GeigerJ2 10 months ago

#90 - Path to enable execution of PWD via CWL

Issue - State: closed - Opened by GeigerJ2 10 months ago - 3 comments

#89 - POC: Arithmetic example with AiiDA using PWD without data nodes

Pull Request - State: closed - Opened by GeigerJ2 10 months ago - 1 comment

#89 - POC: Arithmetic example with AiiDA using PWD without data nodes

Pull Request - State: closed - Opened by GeigerJ2 10 months ago - 1 comment

#88 - Output nodes, global parameter names, and default port handling in PWD format

Issue - State: closed - Opened by GeigerJ2 10 months ago - 7 comments

#87 - added explanatory text for the QE jobflow example

Pull Request - State: closed - Opened by QuantumChemist 10 months ago

#87 - added explanatory text for the QE jobflow example

Pull Request - State: closed - Opened by QuantumChemist 10 months ago

#86 - updating repo

Pull Request - State: closed - Opened by QuantumChemist 10 months ago