pymrm 2.2.2__tar.gz → 2.2.3__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (86) hide show
  1. {pymrm-2.2.2 → pymrm-2.2.3}/CITATION.cff +1 -1
  2. {pymrm-2.2.2 → pymrm-2.2.3}/PKG-INFO +2 -3
  3. {pymrm-2.2.2 → pymrm-2.2.3}/README.md +1 -2
  4. {pymrm-2.2.2 → pymrm-2.2.3}/docs/compile_sphinx.md +6 -6
  5. pymrm-2.2.3/docs/sphinx/.gitignore +4 -0
  6. {pymrm-2.2.2 → pymrm-2.2.3}/docs/sphinx/conf.py +11 -0
  7. {pymrm-2.2.2 → pymrm-2.2.3}/scripts/build_documentation.sh +0 -10
  8. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm/_version.py +3 -3
  9. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm.egg-info/PKG-INFO +2 -3
  10. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm.egg-info/SOURCES.txt +1 -2
  11. pymrm-2.2.2/docs/sphinx/modules.rst +0 -7
  12. pymrm-2.2.2/docs/sphinx/pymrm.rst +0 -77
  13. {pymrm-2.2.2 → pymrm-2.2.3}/.coveragerc +0 -0
  14. {pymrm-2.2.2 → pymrm-2.2.3}/.flake8 +0 -0
  15. {pymrm-2.2.2 → pymrm-2.2.3}/.github/black-formatting.yml +0 -0
  16. {pymrm-2.2.2 → pymrm-2.2.3}/.github/workflows/analysis.yml +0 -0
  17. {pymrm-2.2.2 → pymrm-2.2.3}/.github/workflows/build.yml +0 -0
  18. {pymrm-2.2.2 → pymrm-2.2.3}/.github/workflows/python-publish.yml +0 -0
  19. {pymrm-2.2.2 → pymrm-2.2.3}/.github/workflows/test.yml +0 -0
  20. {pymrm-2.2.2 → pymrm-2.2.3}/.github/workflows/update-citation-cff.yml +0 -0
  21. {pymrm-2.2.2 → pymrm-2.2.3}/.github/workflows/validate-citation-cff.yml +0 -0
  22. {pymrm-2.2.2 → pymrm-2.2.3}/.github/workflows/verification.yml +0 -0
  23. {pymrm-2.2.2 → pymrm-2.2.3}/.gitignore +0 -0
  24. {pymrm-2.2.2 → pymrm-2.2.3}/.gitlab-ci.yml +0 -0
  25. {pymrm-2.2.2 → pymrm-2.2.3}/.vscode/launch_debugpy.json +0 -0
  26. {pymrm-2.2.2 → pymrm-2.2.3}/.vscode/settings_pytest.json +0 -0
  27. {pymrm-2.2.2 → pymrm-2.2.3}/Dockerfile +0 -0
  28. {pymrm-2.2.2 → pymrm-2.2.3}/LICENSE +0 -0
  29. {pymrm-2.2.2 → pymrm-2.2.3}/MANIFEST.in +0 -0
  30. {pymrm-2.2.2 → pymrm-2.2.3}/docs/dependencies_format.md +0 -0
  31. {pymrm-2.2.2 → pymrm-2.2.3}/docs/helpers.md +0 -0
  32. {pymrm-2.2.2 → pymrm-2.2.3}/docs/installation.md +0 -0
  33. {pymrm-2.2.2 → pymrm-2.2.3}/docs/sphinx/Makefile +0 -0
  34. {pymrm-2.2.2 → pymrm-2.2.3}/docs/sphinx/index.rst +0 -0
  35. {pymrm-2.2.2 → pymrm-2.2.3}/docs/sphinx/make.bat +0 -0
  36. {pymrm-2.2.2 → pymrm-2.2.3}/environment.yml +0 -0
  37. {pymrm-2.2.2 → pymrm-2.2.3}/examples/counter_current_reaction.ipynb +0 -0
  38. {pymrm-2.2.2 → pymrm-2.2.3}/examples/counter_diffusion_reaction.ipynb +0 -0
  39. {pymrm-2.2.2 → pymrm-2.2.3}/examples/darcy_flow.ipynb +0 -0
  40. {pymrm-2.2.2 → pymrm-2.2.3}/examples/lid_driven_cavity.ipynb +0 -0
  41. {pymrm-2.2.2 → pymrm-2.2.3}/examples/membrane_module_2D.ipynb +0 -0
  42. {pymrm-2.2.2 → pymrm-2.2.3}/examples/membrane_module_2D_Sievert.ipynb +0 -0
  43. {pymrm-2.2.2 → pymrm-2.2.3}/examples/optimization_example.ipynb +0 -0
  44. {pymrm-2.2.2 → pymrm-2.2.3}/examples/particle_model_effectiveness.ipynb +0 -0
  45. {pymrm-2.2.2 → pymrm-2.2.3}/examples/surface_reaction.ipynb +0 -0
  46. {pymrm-2.2.2 → pymrm-2.2.3}/examples/tvd.ipynb +0 -0
  47. {pymrm-2.2.2 → pymrm-2.2.3}/examples/unsteady_convection_reaction.ipynb +0 -0
  48. {pymrm-2.2.2 → pymrm-2.2.3}/examples/unsteady_diffusion_reaction_2D.ipynb +0 -0
  49. {pymrm-2.2.2 → pymrm-2.2.3}/pyproject.toml +0 -0
  50. {pymrm-2.2.2 → pymrm-2.2.3}/requirements.txt +0 -0
  51. {pymrm-2.2.2 → pymrm-2.2.3}/scripts/run_examples.py +0 -0
  52. {pymrm-2.2.2 → pymrm-2.2.3}/scripts/run_exercises.py +0 -0
  53. {pymrm-2.2.2 → pymrm-2.2.3}/scripts/run_linter.sh +0 -0
  54. {pymrm-2.2.2 → pymrm-2.2.3}/scripts/run_notebook.py +0 -0
  55. {pymrm-2.2.2 → pymrm-2.2.3}/scripts/run_tutorials.py +0 -0
  56. {pymrm-2.2.2 → pymrm-2.2.3}/scripts/run_unit_tests.sh +0 -0
  57. {pymrm-2.2.2 → pymrm-2.2.3}/scripts/split_notebook.py +0 -0
  58. {pymrm-2.2.2 → pymrm-2.2.3}/setup.cfg +0 -0
  59. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm/__init__.py +0 -0
  60. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm/convect.py +0 -0
  61. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm/coupling.py +0 -0
  62. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm/grid.py +0 -0
  63. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm/helpers.py +0 -0
  64. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm/interpolate.py +0 -0
  65. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm/numjac.py +0 -0
  66. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm/operators.py +0 -0
  67. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm/solve.py +0 -0
  68. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm.egg-info/dependency_links.txt +0 -0
  69. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm.egg-info/requires.txt +0 -0
  70. {pymrm-2.2.2 → pymrm-2.2.3}/src/pymrm.egg-info/top_level.txt +0 -0
  71. {pymrm-2.2.2 → pymrm-2.2.3}/test/test_convect.py +0 -0
  72. {pymrm-2.2.2 → pymrm-2.2.3}/test/test_coupling.py +0 -0
  73. {pymrm-2.2.2 → pymrm-2.2.3}/test/test_csr_format.py +0 -0
  74. {pymrm-2.2.2 → pymrm-2.2.3}/test/test_grid.py +0 -0
  75. {pymrm-2.2.2 → pymrm-2.2.3}/test/test_helpers.py +0 -0
  76. {pymrm-2.2.2 → pymrm-2.2.3}/test/test_integration.py +0 -0
  77. {pymrm-2.2.2 → pymrm-2.2.3}/test/test_interpolate.py +0 -0
  78. {pymrm-2.2.2 → pymrm-2.2.3}/test/test_numjac.py +0 -0
  79. {pymrm-2.2.2 → pymrm-2.2.3}/test/test_operators.py +0 -0
  80. {pymrm-2.2.2 → pymrm-2.2.3}/test/test_solve.py +0 -0
  81. {pymrm-2.2.2 → pymrm-2.2.3}/tutorials/diffusion_2D.ipynb +0 -0
  82. {pymrm-2.2.2 → pymrm-2.2.3}/tutorials/diffusion_first_order_kinetics.ipynb +0 -0
  83. {pymrm-2.2.2 → pymrm-2.2.3}/tutorials/diffusion_model_class.ipynb +0 -0
  84. {pymrm-2.2.2 → pymrm-2.2.3}/tutorials/introduction_and_start.ipynb +0 -0
  85. {pymrm-2.2.2 → pymrm-2.2.3}/tutorials/nonlinear_kinetics.ipynb +0 -0
  86. {pymrm-2.2.2 → pymrm-2.2.3}/tutorials/stationary_diffusion.ipynb +0 -0
@@ -1,6 +1,6 @@
1
1
  cff-version: 1.2.0
2
2
  title: "pymrm: Python package for Multiphase Reactor Modeling"
3
- version: "2.2.1"
3
+ version: "2.2.2"
4
4
  message: "If you use pymrm in your work, please cite the version you used."
5
5
  authors:
6
6
  - family-names: Peters
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: pymrm
3
- Version: 2.2.2
3
+ Version: 2.2.3
4
4
  Summary: Functions for multiphase reactor modeling
5
5
  Author-email: "E.A.J.F. Peters" <e.a.j.f.peters@tue.nl>, "M. van Sint Annaland" <M.v.SintAnnaland@tue.nl>, "M. Galanti" <m.galanti@tue.nl>, "D.R. Rieder" <d.r.rieder@tue.nl>
6
6
  Maintainer-email: "E.A.J.F. Peters" <e.a.j.f.peters@tue.nl>
@@ -61,7 +61,7 @@ Dynamic: license-file
61
61
  [![Python](https://img.shields.io/pypi/pyversions/pymrm.svg)](https://pypi.org/project/pymrm/)
62
62
  [![License](https://img.shields.io/github/license/computational-chemical-engineering/pymrm)](https://github.com/computational-chemical-engineering/pymrm/blob/main/LICENSE)
63
63
  [![Code style: black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black)
64
- [![DOI](https://zenodo.org/badge/901029258.svg)](https://zenodo.org/badge/latestdoi/901029258)
64
+ [![DOI](https://zenodo.org/badge/latestdoi/901029258.svg)](https://zenodo.org/badge/latestdoi/901029258)
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65
 
66
66
 
67
67
  ## Overview
@@ -99,4 +99,3 @@ coefficient matrices.
99
99
  ## Contributing
100
100
 
101
101
  Contributions are welcome! For suggestions or enhancements, please contact us or submit a pull request.
102
-
@@ -5,7 +5,7 @@
5
5
  [![Python](https://img.shields.io/pypi/pyversions/pymrm.svg)](https://pypi.org/project/pymrm/)
6
6
  [![License](https://img.shields.io/github/license/computational-chemical-engineering/pymrm)](https://github.com/computational-chemical-engineering/pymrm/blob/main/LICENSE)
7
7
  [![Code style: black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black)
8
- [![DOI](https://zenodo.org/badge/901029258.svg)](https://zenodo.org/badge/latestdoi/901029258)
8
+ [![DOI](https://zenodo.org/badge/latestdoi/901029258.svg)](https://zenodo.org/badge/latestdoi/901029258)
9
9
 
10
10
 
11
11
  ## Overview
@@ -43,4 +43,3 @@ coefficient matrices.
43
43
  ## Contributing
44
44
 
45
45
  Contributions are welcome! For suggestions or enhancements, please contact us or submit a pull request.
46
-
@@ -55,11 +55,11 @@ language = 'en'
55
55
  html_theme = 'sphinx_rtd_theme'
56
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  html_static_path = ['_static']
57
57
  ```
58
- Then run `sphinx-apidoc` in the root directory
59
- ```bash
60
- sphinx-apidoc -o docs/sphinx src/pymrm/
61
- ```
62
- Following that, at the generated modules.rst to the index.rst in the specified folder
58
+ The API `*.rst` pages (`modules.rst` and `pymrm.rst`) are generated automatically by
59
+ the Sphinx build configuration (`conf.py`) during `make html`, so they should not be
60
+ manually generated or committed.
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+
62
+ Ensure `modules` is present in the `index.rst` toctree:
63
63
  ```bash
64
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  .. toctree::
65
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  :maxdepth: 2
@@ -72,4 +72,4 @@ Finally, you can invoke make to generate the documentation
72
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  # here we are in the root folder of the package
73
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  cd docs/sphinx
74
74
  make html
75
- ```
75
+ ```
@@ -0,0 +1,4 @@
1
+ modules.rst
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+ pymrm.rst
3
+ _build/
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+ documentation_errors.txt
@@ -8,6 +8,7 @@
8
8
  import os
9
9
  import sys
10
10
  from pathlib import Path
11
+ from sphinx.ext.apidoc import main as apidoc_main
11
12
  sys.path.insert(0, os.path.abspath('../..')) # this path should point at the root directory
12
13
  sys.path.insert(0, str(Path('../..', 'src').resolve())) # patch so we don't need to install the repository for sphinx to work
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@@ -43,3 +44,13 @@ language = 'en'
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44
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  html_theme = 'sphinx_rtd_theme'
45
46
  html_static_path = ['_static']
47
+
48
+
49
+ def run_apidoc(_):
50
+ docs_dir = Path(__file__).resolve().parent
51
+ package_dir = docs_dir.parent.parent / 'src' / 'pymrm'
52
+ apidoc_main(['-f', '-o', str(docs_dir), str(package_dir)])
53
+
54
+
55
+ def setup(app):
56
+ app.connect('builder-inited', run_apidoc)
@@ -5,16 +5,6 @@
5
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6
6
  pip install myst-parser # workaround. Should be included in Docker image?
7
7
  pip install -e .
8
- sphinx-apidoc -f -o docs/sphinx src/pymrm
9
- if [[ "${CI}" == "true" ]]; then
10
- api_rst_files=(docs/sphinx/pymrm.rst docs/sphinx/modules.rst)
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- if ! git diff --quiet HEAD -- "${api_rst_files[@]}"; then
12
- echo "Detected outdated autogenerated Sphinx API files:"
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- git --no-pager diff HEAD -- "${api_rst_files[@]}"
14
- echo "Run 'sphinx-apidoc -f -o docs/sphinx src/pymrm' and commit the updated rst files."
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- exit 1
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- fi
17
- fi
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  cd docs/sphinx
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  mkdir -p _static
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  make html 2>documentation_errors.txt
@@ -18,7 +18,7 @@ version_tuple: tuple[int | str, ...]
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  commit_id: str | None
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  __commit_id__: str | None
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21
- __version__ = version = '2.2.2'
22
- __version_tuple__ = version_tuple = (2, 2, 2)
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+ __version__ = version = '2.2.3'
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+ __version_tuple__ = version_tuple = (2, 2, 3)
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- __commit_id__ = commit_id = 'g471977efe'
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+ __commit_id__ = commit_id = 'geb01e7e3c'
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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2
  Name: pymrm
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- Version: 2.2.2
3
+ Version: 2.2.3
4
4
  Summary: Functions for multiphase reactor modeling
5
5
  Author-email: "E.A.J.F. Peters" <e.a.j.f.peters@tue.nl>, "M. van Sint Annaland" <M.v.SintAnnaland@tue.nl>, "M. Galanti" <m.galanti@tue.nl>, "D.R. Rieder" <d.r.rieder@tue.nl>
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  Maintainer-email: "E.A.J.F. Peters" <e.a.j.f.peters@tue.nl>
@@ -61,7 +61,7 @@ Dynamic: license-file
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  [![Python](https://img.shields.io/pypi/pyversions/pymrm.svg)](https://pypi.org/project/pymrm/)
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  [![License](https://img.shields.io/github/license/computational-chemical-engineering/pymrm)](https://github.com/computational-chemical-engineering/pymrm/blob/main/LICENSE)
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  [![Code style: black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black)
64
- [![DOI](https://zenodo.org/badge/901029258.svg)](https://zenodo.org/badge/latestdoi/901029258)
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+ [![DOI](https://zenodo.org/badge/latestdoi/901029258.svg)](https://zenodo.org/badge/latestdoi/901029258)
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  ## Overview
@@ -99,4 +99,3 @@ coefficient matrices.
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  ## Contributing
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101
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  Contributions are welcome! For suggestions or enhancements, please contact us or submit a pull request.
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-
@@ -24,12 +24,11 @@ docs/compile_sphinx.md
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  docs/dependencies_format.md
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  docs/helpers.md
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  docs/installation.md
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+ docs/sphinx/.gitignore
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  docs/sphinx/Makefile
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  docs/sphinx/conf.py
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  docs/sphinx/index.rst
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  docs/sphinx/make.bat
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- docs/sphinx/modules.rst
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- docs/sphinx/pymrm.rst
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32
  examples/counter_current_reaction.ipynb
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  examples/counter_diffusion_reaction.ipynb
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  examples/darcy_flow.ipynb
@@ -1,7 +0,0 @@
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- pymrm
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- =====
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-
4
- .. toctree::
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- :maxdepth: 4
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-
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- pymrm
@@ -1,77 +0,0 @@
1
- pymrm package
2
- =============
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-
4
- Submodules
5
- ----------
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-
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- pymrm.convect module
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- --------------------
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-
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- .. automodule:: pymrm.convect
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- :members:
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- :show-inheritance:
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- :undoc-members:
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-
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- pymrm.coupling module
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- ---------------------
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-
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- .. automodule:: pymrm.coupling
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- :members:
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- :show-inheritance:
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- :undoc-members:
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-
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- pymrm.grid module
24
- -----------------
25
-
26
- .. automodule:: pymrm.grid
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- :members:
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- :show-inheritance:
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- :undoc-members:
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-
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- pymrm.helpers module
32
- --------------------
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-
34
- .. automodule:: pymrm.helpers
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- :members:
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- :show-inheritance:
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- :undoc-members:
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-
39
- pymrm.interpolate module
40
- ------------------------
41
-
42
- .. automodule:: pymrm.interpolate
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- :members:
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- :show-inheritance:
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- :undoc-members:
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-
47
- pymrm.numjac module
48
- -------------------
49
-
50
- .. automodule:: pymrm.numjac
51
- :members:
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- :show-inheritance:
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- :undoc-members:
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-
55
- pymrm.operators module
56
- ----------------------
57
-
58
- .. automodule:: pymrm.operators
59
- :members:
60
- :show-inheritance:
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- :undoc-members:
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-
63
- pymrm.solve module
64
- ------------------
65
-
66
- .. automodule:: pymrm.solve
67
- :members:
68
- :show-inheritance:
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- :undoc-members:
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-
71
- Module contents
72
- ---------------
73
-
74
- .. automodule:: pymrm
75
- :members:
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- :show-inheritance:
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- :undoc-members:
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