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@enryH enryH commented Sep 6, 2023

  • create pypi package
  • add Scikit Learn style interface
  • started to add Sphinx documentation
  • installation issues testing R packages
  • additional dataset inspections

Henry added 30 commits February 23, 2023 10:48
- build dependencies: pyproject.toml
- requirements and more: setup.cfg
- editable installs: setup.py
- fix constraint (upper constraints still need to be removed)
- ignore build folder
- folder needs to be renamed asap (vaep -> pimms)
- currently fails on M1/M2 amd64 architectures as no build is available
  for R=3.6.3 (check if R version could be updated)
- works locally with same version of pandas and numpy as in the github runner.
- remove test for now as function isn't used anywhere
- id only allowed for nbformat >= 4.5
- make VAE similar to DAE
- os matrix was only used in naming...
- remove UNIX specific step ("ls")
- could also use larger runner for mac-os-xl with 30GB of memory
  (and 12 CPUs)
- change environment channel list and cuda dependencies
- unify environment file again
- rrcovNA dependencies needed
- ubuntu installation takes forever.
- github runners (mac-os and ubuntu-latest)
  don't seem to install otherwise even using mamba
- also check for unnecessary imports, etc
- see if this helps for windows packages

- remove cuda for now as no gpu runner is connected
Henry added 18 commits August 16, 2023 17:32
- try to get windows-server installation to run
- minor updates in formatting in "sklearn" folder
- see if only rrcovNA source build fails now (-> "-k" for keep-going)
- regular execution of workflow
- small changes to previous version
Parse all xml parameter files on erda.

MaxQuant paramter file is a mix of 3-4 different types of parameter specifications (probably grown cont.)
- bottom line: they are all identical.
- rename and select files of PRIDE submission
   - dropped filepaths of output folder
- just revisited to check some details
cannot install rrcovNA on windows-server. Works on
windows desktop, so testing will be done manually
from time to time on a desktop machine.
- add some plots and description
- check if in colab
- link colab example
- reference pip package
- WIP: get M1 and M2 chips installation to run
- try to autoupdate newly tagged releases
- command line execution failed if num_workers>0
  on windows.
  FastAi normally captures that, but for now set a default

- This should be furhter investigated
@enryH enryH merged commit 275d933 into main Sep 6, 2023
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2 participants