It is better to define the imports instead of using a star import

Problem

• The API documentation is generated with apisource; this works fine but the api is now not in a separate folder (e.g. they are spread out in the /source folder.
• You are also missing the source/api.rst file

Possible solution

Adapt the new way of generating API documentation from the bessa-pypi-template. This will generate the documentation in _autosummary,

Problem

The README.md file does not have a link to the paper (draft).

Possible solution

Add a link to the paper (draft) in the README.md file.

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Problem

In your repository, you have a requirements.txt and setup.cfg file:

• In the setup.cfg; there are install_requires listed:

install_requires =
    numpy
    pandas
    matplotlib
    scipy

However, the requirements in requirements.txt are version dependent, thus different:

matplotlib>=3.6.2
numpy>=1.23.5
scipy>=1.9.3
pandas>=1.53

Possible solution

Change your setup.cfg to read the requirements file as install_requires:

install_requires = file: requirements.txt

Problem

The name of the folder in the diagram is abaqus_sim_main, but the name of the folder in the text is abaqus_script

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This is in reference to the hyperelastic RVE case 9ab1931, but the issue could be present in other cases as well. In the post processing step, we retrieve the applied deformation gradient $\bar{\mathbf{F}}$ and obtain the homogenized 1st Piola-Kirchhoff stress $\bar{\mathbf{P}}$. However, when I compute the 2nd Piola-Kirchhoff stress $\bar{\mathbf{S}} \coloneqq \bar{\mathbf{F}}^{-1}\bar{\mathbf{P}} $, I get a non-symmetric matrix, which shouldn't be the case. There seems to be a bug in the post processing and this needs to be investigated and resolved.

I see a .gitattributes file in your repo, which seems similar to .gitignore. Do you need this file? What is its purpose?

Problem

Your functions and classes have docstrings, but the python files itself (=modules) not.
These can explain the need of that particular module

Possible solution

Add docstrings with a description of the modules to all .py files in your package

You can create these attributes in later functions, you do not have set them None here

Problem

In step 4., whenever you want to check the installation. The logging message 'Impoerted rvesimulator' is not shown.
Althought, the package is correctly imported

Possible solution

1. Implement the logging message
2. Remove the logging message check from the documentation

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Problem

It would be nice to add a requirements_dev.txt file that bundles the requirements for the package, testing, documentation building, flake8 check and package building.

Possible solution

Add a requirements_dev.txt file in the root folder:

# Core package requirements
-r ./requirements.txt

# Linting
flake8

# Testing
-r ./tests/requirements.txt

# Documentation
-r ./docs/requirements.txt

# Building
setuptools>=43.0.0
build
wheel

Note: this is not required for the BRG coding guidelines, just a suggestion :)

Problem

This comment shows me that I need to have specific keys in the folder_info dictionary. But these requirements are not present here

Possible solution

Create a step-by-step approach with an example what is possible and necessary in the folder_info dictionary.

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Problem

The getting started guide says to install requirements with pip install -r requirements.txt after pip install, but this is redundent if issue #44 is fixed.

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https://github.com/bessagroup/rvesimulator/blob/420db1b9b9b6800006a06689cb645cc71873bfe4/src/rvesimulator/cases/utils.py#L57-L100

Currently, we only have the option to output results in .odb format, native to Abaqus. Since we have issues with licenses on local machines, it would be be very useful to have result output as .vtk, so that we can visualize our results on ParaView.

I found a few repos which might have some useful stuff for getting this done:

• https://github.com/Arris-Composites/ODB2VTK
• https://github.com/rorlandoc/vtkFromOdb
• https://github.com/Liujie-SYSU/odb2vtk

Problem

The description in this documentation page describes the microstructure module but does not provide any information on how to use it.

Solution

Add a section how the module is build and how to use it.

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