- Semi-automated NMR profiling software and UI
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Optional: If you do not already have it, install Git Bash for Windows
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If you don't have docker installed, the easiest way is to install docker for desktop
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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
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Navigate to the nmRanalysis directory with
cd nmRanalysis
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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"
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Open a web browser and go to "localhost:3838"
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You are now free to do your analyses through the app!
renv
failed to install a dependency
If you have trouble with installing dependencies through renv
. You might need to change the CRAN respository.
- Open the Dockerfile in a text editor
- Change line 31 from
RUN R -e "install.packages('remotes', repos = c(CRAN = 'http://cran.us.r-project.org'), dependencies = TRUE)"
toRUN R -e "install.packages('remotes', repos = c(CRAN = 'http://cran.rstudio.com/'), dependencies = TRUE)"
- Save the Dockerfile changes and re-run the build command.
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