Bug #3141
Task #2045: API design and language bindings
Feature #2993: Scalar and structured type expression and definitions for API
gmxapi File placeholders missing from beta release
Description
The example scripts for the 2020 gmxapi functionality indicate placeholder syntax for output files produced by gmxapi.commandline_operation, but this placeholder syntax was overlooked for beta 1. The placeholder allows a filesystem location to be managed by the execution context so that output files that do not yet exist can be referenced as input files for other operations.
Related issues
History
#1 Updated by Eric Irrgang 9 months ago
- Private changed from Yes to No
#2 Updated by Eric Irrgang 9 months ago
- Related to Feature #3149: Python user interface for obtaining simulation artifacts as files. added
#3 Updated by Eric Irrgang 7 months ago
If advertised use cases are not possible without a change under this task, then we can address it as a bug, and should be easily achieved in a gmxapi 0.1.x patch release, but it is not likely to be addressed before the initial GROMACS 2020 release, and gmxapi 0.1 has been tagged and released.
#4 Updated by Eric Irrgang 7 months ago
- Target version changed from 2020 to 2021-infrastructure-stable