2025 Reproducible work in Data Science (X. de Pedro) | |
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"Data Science. Applications to Biology and Medicine with Python and R", at IL3 - University of Barcelona. April 9th, 2025 (16-19:00h). Content at https://seeds4c.org/reproduciblework2025
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1. Introduction - the problems (i) | ||||||
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1.1. The problems (ii) | ||||||
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1.2. The problems (iii) | ||||||
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1.3. The problems (iv) | ||||||
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1.4. The problem (v) | |||
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1.5. The problem (vi) | ||||||
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2. Enemies of reproducibility & adaptability | |
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Enemies of reproducibility and adaptability (in levels): Changes / Evolution / Versions!
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3. Reproducibility & Adaptability | ||||||||||||||
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How to avoid reproducibility & adaptability enemies (in R & Python for Data Science):
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4. Reproducibility & Adaptability - Example in Posit Cloud | |
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Example in https://posit.cloud (former RStudio Server Pro) :
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4.1. Level 1: Virtual Machines or Containers | |
4.2. Level 2: RStudio-Posit Workbench | |
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4.3. Level 3: renv - for packages | |||
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Version control in work "environments"
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4.3.1. Virtual environments in R with renv | |
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4.3.2. From utils: : sessionInfo() to renv: : snapshot() + renv.lockalso fails | ||
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4.3.3. "Happy path" | |
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For a reproducible environment Commands in terminal - Computer 1
xxxxxxxxxx9 1 cd project_folder2 git init3 R4 [obrir projecte de RStudio]5 renv::init() # to initialize renv in your code project6 renv::snapshot() # to make a snapshot "picture" of the list of R packages used within the whole R project and their respective package versions7 q()8 git commit ...9 git pushCommands in terminal - Computer 2
xxxxxxxxxx11 1 cd project_folder2 git clone/git pull ...3 R4 [open same RStudio project]5 renv::status() # for a report on which steps are suggested for you to follow6 renv::restore() # to restore the package library (with the required pacckage versions) for this project7 [continue working in/developing your code]8 renv::snapshot() # to make a new snapshot "picture" (in case there are new packages and/or versions or R packages neweer or older in use in your project ;-) )9 q()10 git commit ...11 git push
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4.3.4. Infraestructure | ||||||||||||||||||||||||||||||
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Projects with
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4.3.5. Advanced use | |
xxxxxxxxxx7 1 renv::install("packagename", version="0.1") # to install old versions from a package (useful also for discontinued packages in CRAN!). See possible package-version numbers at https://cran.r-project.org/src/contrib/Archive/yourpackage/2 renv::record("packagename", version="0.1") # to save at renv.lock the specific version you need for this package3 renv::deactivate() # to temporarily deactivate renv in your project4 renv::activate() # to reactivate renv in your project5 renv::equip() # for special installations in MS Windows6 vignette("docker", package = "renv") # for a commbined use with Docker7 vignette("collaborating", package = "renv") # to improve collaborative use in work teams
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4.4. Level 4: git - for code | |
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See: https://gitlab.com/radup/curs-r-introduccio/ > Folder "codi" > 10.compartir.via.git.Rmd (or .pdf)
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4.5. Level 5: Tidyverse | |||
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4.6. Level 6 & More information | ||
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Level 6: YOU with better structure and documentation of your code (+ helpers:
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5. Hands-on practical exercise | |
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We will do some practice using levels 1 to 5, from the 6 levels explained above.
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5.1. Register a free account at Posit Cloud | |
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You can do so at:
Once done, you'll see something like:
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5.2. Create a Project from git repository | |
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5.2.1. Visit gitlab to get clone url | |
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Visit this code project in gitlab to get the project clone url:
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5.2.2. Create project from git repo | |
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5.3. Choose R 3.6.x & Run Rmd | |
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5.3.1. Install dependencies also | |
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5.3.2. Running Rmd will perform GNU/Linux system commands also | |
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GNU/Linux system commands will usually be much more efficient in memory & cpu
(while csv file from reduced meteorological dataset is already 0.5 Gb).
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5.3.3. Display raw data | |
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Variables are in numeric codes (not easily readable by humans in a semantic way). We lack some varaible names (or acronyms at least) for readability.
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5.3.4. Transform in tidy way (i) | |
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5.3.5. Transform in tidy way (ii) - result | |
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5.3.6. Last code chunks | |
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5.4. Choose R 4.2.x & Run Rmd again | |
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Repeat the previous steps but in a R 4.2.x environment: install dependent R packages again... (new environment, but still installing from CRAN repos). renv not needed in this case still (lucky you!). So far, so good.
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5.5. Choose R 3.4.x & Run Rmd | ||
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Now let's touch some issues with R package versions in a R 3.4.x environment
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5.5.1. Use renv.lock recipe (i) | |
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Let's get I did this already, and I uploaded the produced renv.lock file to the manually created ./recipes/ folder in this project as a backup for you (as renv_R344.lock). You can then copy now the ./recipes/renv_R344.lock file provided in the project as ./renv.lock in the project root folder, for
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5.5.2. Use renv.lock recipe (ii) | |
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Run Choose restore the renv.lock package versions:
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5.5.3. Use renv.lock recipe (iii) | |
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You will be ready to go with minimum human intervention. All R packages will be installed in the backgound to their required package versions, following the recipe that someone created for R 3.4.4. already. The key file is the renv.lock file.
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5.5.4. Use renv.lock recipe (iv) - finished | |
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5.6. Additional info | |
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Project (Container) goes to sleep on inactivity
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Thanks | |
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Xavier de Pedro Puente, Ph.D. - xavier.depedro@seeds4c.org
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2025 Reproducible work in Data Science (X. de Pedro)
"Data Science. Applications to Biology and Medicine with Python and R", at IL3 - University of Barcelona. April 9th, 2025 (16-19:00h).
Content at https://seeds4c.org/reproduciblework2025