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sphuber
/
aiida-shell
AiiDA plugin that makes running shell commands easy.
MIT License
14
stars
7
forks
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Docs: Add the changelog to the documentation
#54
sphuber
closed
1 year ago
0
Docs: Fix path to image in `README.md`
#53
sphuber
closed
1 year ago
0
Devops: Migrate to `ruff` and cleanup pre-commit config
#52
sphuber
closed
1 year ago
0
Docs: Update the styling to custom theme
#51
sphuber
closed
1 year ago
0
Docs: Add example showcase of `pdb-tools`
#50
sphuber
closed
1 year ago
0
`ShellJob`: Allow entry point strings for the `parser` input
#49
sphuber
closed
1 year ago
0
`ShellJob`: Add support for `RemoteData` nodes
#48
sphuber
closed
1 year ago
0
`ShellJob`: Do not copy contents of `nodes` to repository
#47
sphuber
closed
1 year ago
0
Docs: Fix outdated markdown style header
#46
sphuber
closed
1 year ago
0
`ShellJob`: Add support for `FolderData` in `nodes` input
#45
sphuber
closed
1 year ago
0
`ShellJob`: Add `invalidates_cache=True` to exit codes < 400
#44
sphuber
closed
1 year ago
0
Devops: Add the `py.typed` file following PEP 561
#43
sphuber
closed
1 year ago
0
Docs: Update Python version on RTD to 3.11
#42
sphuber
closed
1 year ago
0
`ShellJob`: Add the optional `redirect_stderr` input
#41
sphuber
closed
1 year ago
0
`ShellJob`: Remove `tot_num_mpiprocs` from `resources` default
#40
sphuber
closed
1 year ago
0
`launch_shell_job`: Only `which` command if code doesn't already exist
#39
sphuber
closed
1 year ago
0
`launch_shell_job`: Fix bug in `submit=True` when used within work chain
#38
sphuber
closed
1 year ago
0
`launch_shell_job` excepts when used with `submit=True` inside a workflow
#37
sphuber
closed
1 year ago
0
`launch_shell_job`: Accept string for the `arguments` argument
#36
sphuber
closed
1 year ago
0
`launch_shell_job`: Allow specifying `arguments` as a single string
#35
sphuber
closed
1 year ago
0
`launch_shell_job`: Accept `AbstractCode` for `command` argument
#34
sphuber
closed
1 year ago
0
DevOps: Fix the `daemon_client` fixture
#33
sphuber
closed
1 year ago
0
Docs: Add skeleton of documentation
#32
sphuber
closed
1 year ago
0
`ShellParser`: Add support to parse output directory as `FolderData`
#31
sphuber
closed
1 year ago
0
Dependencies: Update pre-commit requirement `isort==5.12.0`
#30
sphuber
closed
1 year ago
0
`ShellJob`: Automatically create parent directories in `filenames`
#29
sphuber
closed
1 year ago
0
`ShellJob`: Raise when `<` or `>` are specified in `arguments`
#28
sphuber
closed
2 years ago
0
`ShellJob`: Add `filename_stdin` input to redirect file through stdin
#27
sphuber
closed
2 years ago
0
`ShellJob`: Use `SinglefileData.filename` before falling back on key
#26
sphuber
closed
2 years ago
0
Provide a way to specify the stdin file handle
#25
sphuber
closed
2 years ago
0
Use the `filename` of a `SinglefileData` node as the filename in the working directory before falling back to the key in the `nodes` dictionary
#24
sphuber
closed
2 years ago
0
Contents of `arguments` argument to `launch_shell_job` are not validated
#23
sphuber
closed
2 years ago
0
Dependencies: Update requirement `aiida-core~=2.1`
#22
sphuber
closed
2 years ago
0
Dependencies: Temporarily install `aiida-core` from `main` branch
#21
sphuber
closed
2 years ago
0
Add the `ShellCode` data plugin
#20
sphuber
closed
2 years ago
0
`ShellJob`: Add support for custom parsing
#19
sphuber
closed
1 year ago
0
`launch_shell_job`: Add the `submit` argument to run over the daemon
#18
sphuber
closed
2 years ago
0
`ShellJob`: Customize the `_build_process_label` method
#17
sphuber
closed
2 years ago
0
`launch_shell_job`: Change log level from warning to info
#16
sphuber
closed
2 years ago
0
`ShellJob`: Add the `ERROR_STDERR_NOT_EMPTY` exit code
#15
sphuber
closed
2 years ago
0
Add exit code if the `stderr` is not empty
#14
sphuber
closed
2 years ago
0
Dependencies: Add support for Python 3.11
#13
sphuber
closed
2 years ago
1
Dependencies: Update `pre-commit` requirement `mypy==0.981`
#12
sphuber
closed
2 years ago
0
Add support for Python 3.11
#11
sphuber
closed
2 years ago
0
`ShellParser`: Fix output files with non-alphanumeric characters
#10
sphuber
closed
2 years ago
1
Add option to suppress the warnings in `launch_shell_job`
#9
sphuber
closed
2 years ago
0
Attaching output files will fail if the filenames contain characters that are not
#8
sphuber
closed
2 years ago
0
See if the `process_label` can be more specific
#7
sphuber
closed
2 years ago
2
Provide functionality to add a custom `Parser` on the fly
#6
sphuber
closed
1 year ago
0
add CITATION.cff
#5
pdiercks
closed
2 years ago
0
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