Add workflow for checking against NOMAD dependencies

[lukaspie]

This is a draft for how we can make sure that the dependencies in the pyproject.toml file are in line with the NOMAD dependencies.

Strategy:
- [x] pip-compile pyproject.toml to a requirements file
- checkout NOMAD requirements from GitLab
- Combine the two requirements file and try to install the combined file
EDIT:

• check out NOMAD@develop and init all its submodules
• in nomad/pyproject.toml, replace the pynxtools[convert]== by pynxtools[convert]@git+https://github.com/FAIRmat-NFDI/pynxtools.git@ to check if the current branch makes any problematic changes
• use NOMADS uv pip compile to generate the requirements-(dev).txt
• try to install these

Possible improvements:

• only run this workflow if the pyproject.toml has actually changed
• return possibly resolving dependencies

Fixes #85

[coveralls]

Pull Request Test Coverage Report for Build 9403361773

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• 3 unchanged lines in 3 files lost coverage.
• Overall coverage decreased (-0.08%) to 78.406%

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Files with Coverage Reduction	New Missed Lines	%
tests/dataconverter/test_writer.py	1	96.67%
pynxtools/dataconverter/validation.py	1	67.82%
pynxtools/dataconverter/helpers.py	1	79.21%

Totals
Change from base Build 9399580646:	-0.08%
Covered Lines:	2814
Relevant Lines:	3589

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💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9403375758

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• 1 unchanged line in 1 file lost coverage.
• Overall coverage remained the same at 78.49%

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Files with Coverage Reduction	New Missed Lines	%
pynxtools/dataconverter/validation.py	1	68.2%

Totals
Change from base Build 9399580646:	0.0%
Covered Lines:	2817
Relevant Lines:	3589

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💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9403398882

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• 5 unchanged lines in 4 files lost coverage.
• Overall coverage remained the same at 78.49%

---

Files with Coverage Reduction	New Missed Lines	%
tests/dataconverter/test_writer.py	1	96.67%
pynxtools/dataconverter/validation.py	1	67.82%
pynxtools/dataconverter/helpers.py	1	79.21%
pynxtools/dataconverter/convert.py	2	74.71%

Totals
Change from base Build 9399580646:	0.0%
Covered Lines:	2817
Relevant Lines:	3589

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9403534362

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• 3 unchanged lines in 3 files lost coverage.
• Overall coverage remained the same at 78.49%

---

Files with Coverage Reduction	New Missed Lines	%
tests/dataconverter/test_writer.py	1	96.67%
pynxtools/dataconverter/validation.py	1	68.2%
pynxtools/dataconverter/helpers.py	1	79.21%

Totals
Change from base Build 9399580646:	0.0%
Covered Lines:	2817
Relevant Lines:	3589

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9403561424

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• 1 unchanged line in 1 file lost coverage.
• Overall coverage decreased (-0.03%) to 78.462%

---

Files with Coverage Reduction	New Missed Lines	%
tests/dataconverter/test_writer.py	1	96.67%

Totals
Change from base Build 9399580646:	-0.03%
Covered Lines:	2816
Relevant Lines:	3589

---

💛 - Coveralls

[domna]

It might make sense to use uv instead of pip-compile. I think nomad is switching to it and it is way faster. This might benefit this ci/cd as well.

[lukaspie]

It might make sense to use uv instead of pip-compile. I think nomad is switching to it and it is way faster. This might benefit this ci/cd as well.

I have a PR (#347) to use uv across the whole repository for compiling and installing requirements.

[coveralls]

Pull Request Test Coverage Report for Build 9431429305

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 97.603%

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Totals
Change from base Build 9416111276:	0.0%
Covered Lines:	570
Relevant Lines:	584

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9431439243

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 97.603%

---

Totals
Change from base Build 9416111276:	0.0%
Covered Lines:	570
Relevant Lines:	584

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9431477569

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 97.603%

---

Totals
Change from base Build 9416111276:	0.0%
Covered Lines:	570
Relevant Lines:	584

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9431489665

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 97.603%

---

Totals
Change from base Build 9416111276:	0.0%
Covered Lines:	570
Relevant Lines:	584

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9431489665

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 97.603%

---

Totals
Change from base Build 9416111276:	0.0%
Covered Lines:	570
Relevant Lines:	584

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9431500922

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 97.603%

---

Totals
Change from base Build 9416111276:	0.0%
Covered Lines:	570
Relevant Lines:	584

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9431554831

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 97.603%

---

Totals
Change from base Build 9416111276:	0.0%
Covered Lines:	570
Relevant Lines:	584

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9431605383

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 97.603%

---

Totals
Change from base Build 9416111276:	0.0%
Covered Lines:	570
Relevant Lines:	584

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9431721135

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 97.603%

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Totals
Change from base Build 9416111276:	0.0%
Covered Lines:	570
Relevant Lines:	584

---

💛 - Coveralls

[domna]

LGTM

I left a few comments for cleanup

[github-actions]

Pull Request Test Coverage Report for Build 9473182354

Warning: This coverage report may be inaccurate.

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Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 97.603%

---

Totals
Change from base Build 9416111276:	0.0%
Covered Lines:	570
Relevant Lines:	584

---

💛 - Coveralls

[github-actions]

Pull Request Test Coverage Report for Build 9473182354

Warning: This coverage report may be inaccurate.

This pull request's base commit is no longer the HEAD commit of its target branch. This means it includes changes from outside the original pull request, including, potentially, unrelated coverage changes.

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Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 97.603%

---

Totals
Change from base Build 9416111276:	0.0%
Covered Lines:	570
Relevant Lines:	584

---

💛 - Coveralls

[github-actions]

Pull Request Test Coverage Report for Build 9473182354

Warning: This coverage report may be inaccurate.

This pull request's base commit is no longer the HEAD commit of its target branch. This means it includes changes from outside the original pull request, including, potentially, unrelated coverage changes.

• For more information on this, see Tracking coverage changes with pull request builds.
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Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 97.603%

---

Totals
Change from base Build 9416111276:	0.0%
Covered Lines:	570
Relevant Lines:	584

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9473182354

Warning: This coverage report may be inaccurate.

This pull request's base commit is no longer the HEAD commit of its target branch. This means it includes changes from outside the original pull request, including, potentially, unrelated coverage changes.

• For more information on this, see Tracking coverage changes with pull request builds.
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• For a quick fix, rebase this PR at GitHub. Your next report should be accurate.

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 97.603%

---

Totals
Change from base Build 9416111276:	0.0%
Covered Lines:	570
Relevant Lines:	584

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9473193332

Warning: This coverage report may be inaccurate.

This pull request's base commit is no longer the HEAD commit of its target branch. This means it includes changes from outside the original pull request, including, potentially, unrelated coverage changes.

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Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage decreased (-0.2%) to 97.432%

---

Totals
Change from base Build 9416111276:	-0.2%
Covered Lines:	569
Relevant Lines:	584

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9473276074

Warning: This coverage report may be inaccurate.

This pull request's base commit is no longer the HEAD commit of its target branch. This means it includes changes from outside the original pull request, including, potentially, unrelated coverage changes.

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Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage decreased (-0.2%) to 97.432%

---

Totals
Change from base Build 9416111276:	-0.2%
Covered Lines:	569
Relevant Lines:	584

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9473276074

Warning: This coverage report may be inaccurate.

This pull request's base commit is no longer the HEAD commit of its target branch. This means it includes changes from outside the original pull request, including, potentially, unrelated coverage changes.

• For more information on this, see Tracking coverage changes with pull request builds.
• To avoid this issue with future PRs, see these Recommended CI Configurations.
• For a quick fix, rebase this PR at GitHub. Your next report should be accurate.

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage decreased (-0.2%) to 97.432%

---

Totals
Change from base Build 9416111276:	-0.2%
Covered Lines:	569
Relevant Lines:	584

---

💛 - Coveralls

[coveralls]

Pull Request Test Coverage Report for Build 9473276074

Warning: This coverage report may be inaccurate.

This pull request's base commit is no longer the HEAD commit of its target branch. This means it includes changes from outside the original pull request, including, potentially, unrelated coverage changes.

• For more information on this, see Tracking coverage changes with pull request builds.
• To avoid this issue with future PRs, see these Recommended CI Configurations.
• For a quick fix, rebase this PR at GitHub. Your next report should be accurate.

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage decreased (-0.2%) to 97.432%

---

Totals
Change from base Build 9416111276:	-0.2%
Covered Lines:	569
Relevant Lines:	584

---

💛 - Coveralls