Update GitHub workflows to align with recent Databank repository changes

Author: MagnusSletten

.github/workflows/ProcessInfoFile.yml

@@ -41,9 +41,9 @@ jobs:
           TQDM_DISABLE: True
         working-directory: Databank
         run: |
-          pip install -e . -r ./Scripts/DatabankLib/requirements.txt
-          python Scripts/WorkflowScripts/ProcessInfoFile.py \
-            --info_file_path ../BilayerData/UserData/info.yml
+          pip install .
+          python developer/ProcessInfoFile.py \
+            --info_file_path ../BilayerData/UserData/info.yml 
     
       - uses: actions/create-github-app-token@v2
         id: app-token

.github/workflows/RunGlobalAnalysis.yml

@@ -44,8 +44,8 @@ jobs:
           TQDM_DISABLE: "True"
         working-directory: "Databank"
         run: |
-          pip install -e . -r ./Scripts/DatabankLib/requirements.txt
-          python Scripts/WorkflowScripts/RunAnalysis.py 
+          pip install .
+          python developer/RunAnalysis.py 
            
       - name: Create Pull Request with simulation updates
         uses: peter-evans/create-pull-request@v7

.github/workflows/ValidateInfoFile.yml

@@ -28,7 +28,7 @@ jobs:
       - name: Checkout Databank
         uses: actions/checkout@v4
         with:
-          repository: NMRlipids/Databank
+          repository: NMRLipids/Databank
           ref: main
           path: Databank
 
@@ -37,6 +37,6 @@ jobs:
           TQDM_DISABLE: True
         working-directory: Databank
         run: |
-          pip install -e . -r ./Scripts/DatabankLib/requirements.txt
-          python Scripts/WorkflowScripts/ProcessInfoFile.py \
+          pip install .
+          python developer/ProcessInfoFile.py \
             --info_file_path ../BilayerData/UserData/info.yml --dry-run

.github/workflows/ValidateMolecules.yml

@@ -33,10 +33,9 @@ jobs:
           - name: Install Databank dependencies
             working-directory: "Databank"
             run: |
-               pip install -e . -r ./Scripts/DatabankLib/requirements.txt
+               pip install . 
 
           - name: Validate
             working-directory: "Databank"
             run: |
-              python Scripts/WorkflowScripts/ValidateData.py
-
+              python developer/ValidateData.py