nmRanalysis

1.0.27

Services:

• Semi-automated NMR profiling software and UI

Set up

1. Optional: If you do not already have it, install Git Bash for Windows

2. If you don't have docker installed, the easiest way is to install docker for desktop

3. Open a bash terminal and clone into the LOCAL branch of the nmRanalysis repository by copying the HTTPS link available in the dropdown menu of the green 'Code' button.

   git clone -b local https://github.com/EMSL-Computing/nmRanalysis.git
   

4. Navigate to the nmRanalysis directory with cd nmRanalysis

5. Build images with the following command

   docker-compose up --build
   

   ** Note: The build will take ~30 minutes the very first time. ** Subsequent updates where only nmRanalysis and not its dependencies are loaded should take only a couple of minutes.

   Once the image is built and the container is running you should get the terminal message: "Listening on http://0.0.0.0:3838"

6. Open a web browser and go to "localhost:3838"

7. You are now free to do your analyses through the app!

Troubleshooting

• renv failed to install a dependency

If you have trouble with installing dependencies through renv. You might need to change the CRAN respository.

1. Open the Dockerfile in a text editor
2. Change line 31 from RUN R -e "install.packages('remotes', repos = c(CRAN = 'http://cran.us.r-project.org'), dependencies = TRUE)" to RUN R -e "install.packages('remotes', repos = c(CRAN = 'http://cran.rstudio.com/'), dependencies = TRUE)"
3. Save the Dockerfile changes and re-run the build command.

User Manual

A complete user's manual for nmRanalysis can be found here: https://htmlpreview.github.io/?https://github.com/EMSL-Computing/nmRanalysis/blob/master/docs/nmRanalysis_Manual.html