8000 Better dependency management for dev, standalone, and a Nomad install by sherjeelshabih · Pull Request #50 · FAIRmat-NFDI/pynxtools · GitHub
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Better dependency management for dev, standalone, and a Nomad inst 8000 all #50

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Merged
merged 28 commits into from
Oct 7, 2022

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sherjeelshabih
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@sherjeelshabih sherjeelshabih commented Sep 23, 2022

Fixes #40 #48 and #49.

  • Update all Readme's to reflect how to install for different use cases
  • Make sure definitions folder is collected in the install package

@sherjeelshabih sherjeelshabih linked an issue Sep 23, 2022 that may be closed by this pull request

if __name__ == '__main__':
main()
setup()
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will it ensure packaging the xml files from nexus definitinos?

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This is still in draft. There are many other developments happening in Nomad that I am waiting for. But I'll add this point as a TODO above so that we don't forget this before merging.

@sanbrock sanbrock marked this pull request as ready for review October 7, 2022 08:27
@sanbrock sanbrock merged commit 092537b into master Oct 7, 2022
@sherjeelshabih sherjeelshabih deleted the 48-removing-nomad-as-a-dependency branch January 4, 2023 14:44
RubelMozumder pushed a commit that referenced this pull request Jun 28, 2023
…#50)

* Added a pip-compile locked requirements for devs

* Reverted nomad-lab install back

* Fixed missing astroid version

* cleanup + ease on dev reqs

* Added a relaxed requirements.txt for installation with Nomad

* Unrelaxed pyproject.toml dev reqs and reverted xarray to older version

* Allowed python3.7 and fixed dask[array] version

* Merge adapt-nexus-to-metainfo-changes and CI updates

* cleanup

* Brought in requirements.txt

* draft refactoring and reorganizing of nomad-parser-nexus, decide first how tests should finally before structured, then the tests and absolute paths in the ipynbs and code sections should be changed

* renaming tools; adding and fixing unit tests

* fix some linting issues

* addig reference data for testing nexus checker

* fixing linting issues; adding test reference file

* bringing Example  to front

* tested ipynb notebooks, added jupyterlab_h5web to the environment

*
7D8A
 improved descriptions, and placed jupyterlab in pyproject toml, tested compiling a dev-requirements locally successfully

* updating readme.md as a result of testing

* Added nexus definitions to the module package

* fixing README files and the ipynb for APM

* use dataconverter alias from command line

* harmonising EM and MPES notebooks

* Updated YAML file

* Updated jupyter notebook for ellipsometry + DAT and YAML file

* Delete ELLIPSOMETRY.NeXus.READER.EXAMPLE.02.ipynb

* Delete test.yaml

* fix data file locations

Co-authored-by: Adam Fekete <fekad@users.noreply.github.com>
Co-authored-by: Adam Fekete <adam@fekete.co.uk>
Co-authored-by: kuehbachm <kuehbacm@hu-berlin.de>
Co-authored-by: sanbrock <sandor.brockhauser@gmail.com>
Co-authored-by: sanbrock <45483558+sanbrock@users.noreply.github.com>
Co-authored-by: Carola Emminger <emminger.carola@physik.hu-berlin.de>
Co-authored-by: cmmngr <98404894+cmmngr@users.noreply.github.com>
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Removing Nomad as a dependency Dependency management
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