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feat: resurrect spectrum from publication string #74

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Jan 20, 2024
Merged

feat: resurrect spectrum from publication string #74

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8a9d915
refactor: nmr-cli
hamed-musallam Jan 19, 2024
375c62f
feat: resurrect spectrum from publication string
hamed-musallam Jan 19, 2024
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2 changes: 2 additions & 0 deletions app/scripts/nmr-cli/.gitignore
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Original file line number Diff line number Diff line change
@@ -0,0 +1,2 @@
node_modules/
build/
4 changes: 3 additions & 1 deletion app/scripts/nmr-cli/Dockerfile
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Expand Up @@ -18,8 +18,10 @@ RUN npm install

COPY . ./

RUN npm run build

#install the nmr-cli as a global package
# for example, nmr-cli -u https://cheminfo.github.io/bruker-data-test/data/zipped/aspirin-1h.zip
# for example, nmr-cli parse-spectra -u https://cheminfo.github.io/bruker-data-test/data/zipped/aspirin-1h.zip
RUN npm install . -g


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167 changes: 0 additions & 167 deletions app/scripts/nmr-cli/bin/index.js
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