Improve conda

[fdiblen]

Version 0.3.2

This PR includes the changes in #241

Refs: #242 #227 #139

Changed

• improve conda workflow #244
  • merge anaconda and python build workflows
  • fix conda package install command in build workflow
  • publish only on ubuntu machine
• data folder is handled by setup.py but not meta.yml
• split workflows into two parts
• install conda package generated by the workflow
• test conda packages on windows and unix separately
• update workflow names
• use default settings for conda action

Removed

• remove python build badge #244
• Moved spec2vec similarity related functionality from matchms to iomega/spec2vec
• removed build step in build workflow
• removed conda build scripts: conda/build.sh and conda/bld.bat
• removed conda/condarc.yml
• removed conda_build_config.yaml

[sverhoeven]

I dont like the data cp at https://github.com/matchms/matchms/blob/improve-conda/conda/build.sh#L10, this should not be needed. Did you try to use package_data in setup.py? For example https://github.com/3D-e-Chem/sygma/blob/master/setup.py#L44

[fdiblen]

I dont like the data cp at https://github.com/matchms/matchms/blob/improve-conda/conda/build.sh#L10, this should not be needed. Did you try to use package_data in setup.py? For example https://github.com/3D-e-Chem/sygma/blob/master/setup.py#L44

Changed in eda8b12. Testing now...

[jspaaks]

and merge changlog entries for unreleased and 0.3.2

[sverhoeven]

Looks like you doing something else now, the single job is a bit long for me. Can you split it up in 2 jobs which depend on each other:

Suggested change

	- name: Deactivate matchms-dev environment
	condabuild:
	name: Python ${{ matrix.python-version }} / ${{ matrix.os }}
	runs-on: ${{ matrix.os }} runs-on: ${{ matrix.os }}
	needs: build
	steps:
	- uses: actions/checkout@v2
	with:
	fetch-depth: '0'

Then you don't need to deactivate a env, but need to checkout.

[fdiblen]

added in bb75b60

[sverhoeven]

I do not see the build job in https://github.com/matchms/matchms/actions/runs/110289735 run. There is a parse error of the yml file.

You need to add the strategy from the analysis job also to the build job, or maybe move strategy to defaults section.

[sverhoeven]

Build job does not run, see possible solution in matchms/matchms#244 (comment)

[sonarqubecloud]

Kudos, SonarCloud Quality Gate passed!

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[fdiblen]

The PR moved to matchms/matchms#31