sphuber/aiida-shell issues and pull requests

#47 - `ShellJob`: Do not copy contents of `nodes` to repository

Pull Request - State: closed - Opened by sphuber over 1 year ago

#46 - Docs: Fix outdated markdown style header

Pull Request - State: closed - Opened by sphuber over 1 year ago

#46 - Docs: Fix outdated markdown style header

Pull Request - State: closed - Opened by sphuber over 1 year ago

#45 - `ShellJob`: Add support for `FolderData` in `nodes` input

Pull Request - State: closed - Opened by sphuber over 1 year ago

#45 - `ShellJob`: Add support for `FolderData` in `nodes` input

Pull Request - State: closed - Opened by sphuber over 1 year ago

#44 - `ShellJob`: Add `invalidates_cache=True` to exit codes < 400

Pull Request - State: closed - Opened by sphuber over 1 year ago

#44 - `ShellJob`: Add `invalidates_cache=True` to exit codes < 400

Pull Request - State: closed - Opened by sphuber over 1 year ago

#43 - Devops: Add the `py.typed` file following PEP 561

Pull Request - State: closed - Opened by sphuber over 1 year ago

#43 - Devops: Add the `py.typed` file following PEP 561

Pull Request - State: closed - Opened by sphuber over 1 year ago

#42 - Docs: Update Python version on RTD to 3.11

Pull Request - State: closed - Opened by sphuber over 1 year ago

#42 - Docs: Update Python version on RTD to 3.11

Pull Request - State: closed - Opened by sphuber over 1 year ago

#41 - `ShellJob`: Add the optional `redirect_stderr` input

Pull Request - State: closed - Opened by sphuber over 1 year ago

#41 - `ShellJob`: Add the optional `redirect_stderr` input

Pull Request - State: closed - Opened by sphuber over 1 year ago

#40 - `ShellJob`: Remove `tot_num_mpiprocs` from `resources` default

Pull Request - State: closed - Opened by sphuber over 1 year ago

#40 - `ShellJob`: Remove `tot_num_mpiprocs` from `resources` default

Pull Request - State: closed - Opened by sphuber over 1 year ago

#39 - `launch_shell_job`: Only `which` command if code doesn't already exist

Pull Request - State: closed - Opened by sphuber over 1 year ago

#39 - `launch_shell_job`: Only `which` command if code doesn't already exist

Pull Request - State: closed - Opened by sphuber over 1 year ago

#38 - `launch_shell_job`: Fix bug in `submit=True` when used within work chain

Pull Request - State: closed - Opened by sphuber over 1 year ago

#38 - `launch_shell_job`: Fix bug in `submit=True` when used within work chain

Pull Request - State: closed - Opened by sphuber over 1 year ago

#37 - `launch_shell_job` excepts when used with `submit=True` inside a workflow

Issue - State: closed - Opened by sphuber over 1 year ago
Labels: priority/important, type/bug, topics/launchers

#37 - `launch_shell_job` excepts when used with `submit=True` inside a workflow

Issue - State: closed - Opened by sphuber over 1 year ago
Labels: priority/important, type/bug, topics/launchers

#36 - `launch_shell_job`: Accept string for the `arguments` argument

Pull Request - State: closed - Opened by sphuber over 1 year ago

#36 - `launch_shell_job`: Accept string for the `arguments` argument

Pull Request - State: closed - Opened by sphuber over 1 year ago

#35 - `launch_shell_job`: Allow specifying `arguments` as a single string

Issue - State: closed - Opened by sphuber over 1 year ago
Labels: priority/important, type/accepted feature, topics/launchers

#35 - `launch_shell_job`: Allow specifying `arguments` as a single string

Issue - State: closed - Opened by sphuber over 1 year ago
Labels: priority/important, type/accepted feature, topics/launchers

#34 - `launch_shell_job`: Accept `AbstractCode` for `command` argument

Pull Request - State: closed - Opened by sphuber over 1 year ago

#34 - `launch_shell_job`: Accept `AbstractCode` for `command` argument

Pull Request - State: closed - Opened by sphuber over 1 year ago

#33 - DevOps: Fix the `daemon_client` fixture

Pull Request - State: closed - Opened by sphuber over 1 year ago

#33 - DevOps: Fix the `daemon_client` fixture

Pull Request - State: closed - Opened by sphuber over 1 year ago

#32 - Docs: Add skeleton of documentation

Pull Request - State: closed - Opened by sphuber over 1 year ago

#32 - Docs: Add skeleton of documentation

Pull Request - State: closed - Opened by sphuber over 1 year ago

#31 - `ShellParser`: Add support to parse output directory as `FolderData`

Pull Request - State: closed - Opened by sphuber over 1 year ago

#31 - `ShellParser`: Add support to parse output directory as `FolderData`

Pull Request - State: closed - Opened by sphuber over 1 year ago

#30 - Dependencies: Update pre-commit requirement `isort==5.12.0`

Pull Request - State: closed - Opened by sphuber over 1 year ago

#30 - Dependencies: Update pre-commit requirement `isort==5.12.0`

Pull Request - State: closed - Opened by sphuber over 1 year ago

#29 - `ShellJob`: Automatically create parent directories in `filenames`

Pull Request - State: closed - Opened by sphuber over 1 year ago

#29 - `ShellJob`: Automatically create parent directories in `filenames`

Pull Request - State: closed - Opened by sphuber over 1 year ago

#28 - `ShellJob`: Raise when `<` or `>` are specified in `arguments`

Pull Request - State: closed - Opened by sphuber about 2 years ago

#28 - `ShellJob`: Raise when `<` or `>` are specified in `arguments`

Pull Request - State: closed - Opened by sphuber about 2 years ago

#27 - `ShellJob`: Add `filename_stdin` input to redirect file through stdin

Pull Request - State: closed - Opened by sphuber about 2 years ago

#27 - `ShellJob`: Add `filename_stdin` input to redirect file through stdin

Pull Request - State: closed - Opened by sphuber about 2 years ago

#26 - `ShellJob`: Use `SinglefileData.filename` before falling back on key

Pull Request - State: closed - Opened by sphuber about 2 years ago

#26 - `ShellJob`: Use `SinglefileData.filename` before falling back on key

Pull Request - State: closed - Opened by sphuber about 2 years ago

#25 - Provide a way to specify the stdin file handle

Issue - State: closed - Opened by sphuber about 2 years ago
Labels: priority/important, type/accepted feature, topic/shell-job

#25 - Provide a way to specify the stdin file handle

Issue - State: closed - Opened by sphuber about 2 years ago
Labels: priority/important, type/accepted feature, topic/shell-job

#24 - Use the `filename` of a `SinglefileData` node as the filename in the working directory before falling back to the key in the `nodes` dictionary

Issue - State: closed - Opened by sphuber about 2 years ago
Labels: priority/important, type/enhancement, topic/shell-job

#24 - Use the `filename` of a `SinglefileData` node as the filename in the working directory before falling back to the key in the `nodes` dictionary

Issue - State: closed - Opened by sphuber about 2 years ago
Labels: priority/important, type/enhancement, topic/shell-job

#23 - Contents of `arguments` argument to `launch_shell_job` are not validated

Issue - State: closed - Opened by sphuber about 2 years ago
Labels: priority/important, type/bug, topic/shell-job

#23 - Contents of `arguments` argument to `launch_shell_job` are not validated

Issue - State: closed - Opened by sphuber about 2 years ago
Labels: priority/important, type/bug, topic/shell-job

#22 - Dependencies: Update requirement `aiida-core~=2.1`

Pull Request - State: closed - Opened by sphuber about 2 years ago

#22 - Dependencies: Update requirement `aiida-core~=2.1`

Pull Request - State: closed - Opened by sphuber about 2 years ago

#21 - Dependencies: Temporarily install `aiida-core` from `main` branch

Pull Request - State: closed - Opened by sphuber about 2 years ago

#21 - Dependencies: Temporarily install `aiida-core` from `main` branch

Pull Request - State: closed - Opened by sphuber about 2 years ago

#20 - Add the `ShellCode` data plugin

Pull Request - State: closed - Opened by sphuber about 2 years ago

#20 - Add the `ShellCode` data plugin

Pull Request - State: closed - Opened by sphuber about 2 years ago

#19 - `ShellJob`: Add support for custom parsing

Pull Request - State: closed - Opened by sphuber about 2 years ago

#19 - `ShellJob`: Add support for custom parsing

Pull Request - State: closed - Opened by sphuber about 2 years ago

#18 - `launch_shell_job`: Add the `submit` argument to run over the daemon

Pull Request - State: closed - Opened by sphuber about 2 years ago

#18 - `launch_shell_job`: Add the `submit` argument to run over the daemon

Pull Request - State: closed - Opened by sphuber about 2 years ago

#17 - `ShellJob`: Customize the `_build_process_label` method

Pull Request - State: closed - Opened by sphuber about 2 years ago

#17 - `ShellJob`: Customize the `_build_process_label` method

Pull Request - State: closed - Opened by sphuber about 2 years ago

#16 - `launch_shell_job`: Change log level from warning to info

Pull Request - State: closed - Opened by sphuber about 2 years ago

#16 - `launch_shell_job`: Change log level from warning to info

Pull Request - State: closed - Opened by sphuber about 2 years ago

#15 - `ShellJob`: Add the `ERROR_STDERR_NOT_EMPTY` exit code

Pull Request - State: closed - Opened by sphuber about 2 years ago

#15 - `ShellJob`: Add the `ERROR_STDERR_NOT_EMPTY` exit code

Pull Request - State: closed - Opened by sphuber about 2 years ago

#14 - Add exit code if the `stderr` is not empty

Issue - State: closed - Opened by sphuber about 2 years ago
Labels: priority/nice to have, type/enhancement, topic/shell-job

#14 - Add exit code if the `stderr` is not empty

Issue - State: closed - Opened by sphuber about 2 years ago
Labels: priority/nice to have, type/enhancement, topic/shell-job

#13 - Dependencies: Add support for Python 3.11

Pull Request - State: closed - Opened by sphuber about 2 years ago - 1 comment

#13 - Dependencies: Add support for Python 3.11

Pull Request - State: closed - Opened by sphuber about 2 years ago - 1 comment

#11 - Add support for Python 3.11

Issue - State: closed - Opened by sphuber about 2 years ago
Labels: priority/nice to have, topic/dependencies, type/enhancement

#11 - Add support for Python 3.11

Issue - State: closed - Opened by sphuber about 2 years ago
Labels: priority/nice to have, topic/dependencies, type/enhancement

#10 - `ShellParser`: Fix output files with non-alphanumeric characters

Pull Request - State: closed - Opened by sphuber about 2 years ago - 1 comment

#10 - `ShellParser`: Fix output files with non-alphanumeric characters

Pull Request - State: closed - Opened by sphuber about 2 years ago - 1 comment

#9 - Add option to suppress the warnings in `launch_shell_job`

Issue - State: closed - Opened by sphuber about 2 years ago
Labels: priority/nice to have, type/accepted feature, topic/shell-job

#9 - Add option to suppress the warnings in `launch_shell_job`

Issue - State: closed - Opened by sphuber about 2 years ago
Labels: priority/nice to have, type/accepted feature, topic/shell-job

#7 - See if the `process_label` can be more specific

Issue - State: closed - Opened by sphuber about 2 years ago - 2 comments
Labels: priority/nice to have, type/enhancement, topic/shell-job

#7 - See if the `process_label` can be more specific

Issue - State: closed - Opened by sphuber about 2 years ago - 2 comments
Labels: priority/nice to have, type/enhancement, topic/shell-job

#6 - Provide functionality to add a custom `Parser` on the fly

Issue - State: closed - Opened by sphuber about 2 years ago
Labels: priority/nice to have, type/accepted feature, topic/parsers

#6 - Provide functionality to add a custom `Parser` on the fly

Issue - State: closed - Opened by sphuber about 2 years ago
Labels: priority/nice to have, type/accepted feature, topic/parsers

#3 - Consider using a custom `Code` subclass for codes automatically created by `launch_shell_job`

Issue - State: closed - Opened by sphuber over 2 years ago
Labels: priority/nice to have, type/requested feature, topic/shell-job

#3 - Consider using a custom `Code` subclass for codes automatically created by `launch_shell_job`

Issue - State: closed - Opened by sphuber over 2 years ago
Labels: priority/nice to have, type/requested feature, topic/shell-job

#2 - Make `ShellJob`s submittable to the daemon

Issue - State: closed - Opened by sphuber over 2 years ago
Labels: priority/important, topic/tests, type/accepted feature, topic/shell-job

#2 - Make `ShellJob`s submittable to the daemon

Issue - State: closed - Opened by sphuber over 2 years ago
Labels: priority/important, topic/tests, type/accepted feature, topic/shell-job

#1 - Consider changing the filenames of the `stdout` and `stderr` redirects and the `status` file

Issue - State: open - Opened by sphuber over 2 years ago - 2 comments
Labels: priority/important, type/requested feature, topic/shell-job

#1 - Consider changing the filenames of the `stdout` and `stderr` redirects and the `status` file

Issue - State: open - Opened by sphuber over 2 years ago - 2 comments
Labels: priority/important, type/requested feature, topic/shell-job

GitHub / sphuber/aiida-shell issues and pull requests