Revert Dockerfile and add comment

EMSL-Computing · Nov 21, 2024 · d069a67 · d069a67
1 parent aa10217
commit d069a67
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Showing 3 changed files with 3 additions and 6 deletions.
diff --git a/.gitignore b/.gitignore
@@ -13,6 +13,8 @@ __pycache__/
 # C extensions
 *.so
 
+# .config.yaml file
+.config.yaml
 
 # Distribution / packaging
 .Python

diff --git a/Dockerfile b/Dockerfile
@@ -5,12 +5,6 @@ COPY metaMS/ /metams/metaMS/
 COPY README.md disclaimer.txt Makefile requirements.txt setup.py /metams/
 COPY db/ /metams/db/
 
-# Install the specific version of corems
-RUN pip3 install corems==2.2.1
-
-# Install other dependencies from requirements.txt
-RUN pip3 install -r requirements.txt
-
 # Install the MetaMS package in editable mode
 RUN pip3 install --editable .
 

diff --git a/metaMS/lcms_lipidomics_workflow.py b/metaMS/lcms_lipidomics_workflow.py
@@ -54,6 +54,7 @@ def instantiate_lcms_obj(file_in):
     """
     # Instantiate parser based on binary file type
     if ".raw" in str(file_in):
+        #TODO KRH: Add real functionality here
         pass
         #parser = ImportMassSpectraThermoMSFileReader(file_in)