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Merge pull request #74 from NFDI4Chem/nmr-cli
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feat: resurrect spectrum from publication string
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CS76 committed Jan 20, 2024
2 parents 175a1ec + 375c62f commit d90c2fc
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2 changes: 2 additions & 0 deletions app/scripts/nmr-cli/.gitignore
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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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