Ad link to repository, fix typo

Dockerfile

@@ -1,12 +1,11 @@
 FROM materialscloud/tools-barebone:1.3.0
 
-LABEL maintainer="Osvaldo Hernandez-Cuellar <osvaldo.hernandezcuellarh@epfl.ch>, Liam O. Marsh <liam.marsh@epfl.ch>, and Ruben Laplaza <ruben.laplazasolanas@epfl.ch>"
+LABEL maintainer="Osvaldo Hernandez-Cuellar <osvaldo.hernandezcuellar@epfl.ch>, Liam O. Marsh <liam.marsh@epfl.ch>, and Ruben Laplaza <ruben.laplazasolanas@epfl.ch>"
 
 # Python requirements
 COPY ./requirements.txt /home/app/code/requirements.txt
 # Run this as sudo to replace the version of pip
 
-
 RUN pip3 install -U 'pip>=10' setuptools wheel
 # install packages as normal user (app, provided by passenger)
 

compute/pages.py

@@ -239,7 +239,7 @@ def process_structure_view():
             jmol_list_species =species_list(cell) 
 
         else:
-            raise ValueError("plz")
+            raise ValueError("Please wait until cell2info finishes.")
             #output.extend([f"Please, wait until cell2info has finished for this input. Could not find {token.info_path}."])
 
         #token.remove()
@@ -248,10 +248,8 @@ def process_structure_view():
             output_lines=output,
             infodata=infodata.strip(),
             celldata=celldata,
-            #xsfdata=xsf,
             ucellparams=ucellparams,
             compound_data=compound_data,
-            #xyzdata=xyzdata,
             xyzdata=xyzdata,
             labels=labels,
             pos=pos,
@@ -261,7 +259,7 @@ def process_structure_view():
             jmol_list_species = jmol_list_species,
             jmolCon = jmolCon,
             totmol = len(cell.moleclist),
-            enumerate=enumerate, len=len, zip=zip, # why TF is this needed?????
+            enumerate=enumerate, len=len, zip=zip, # needed
             #token_path=tkn_path.replace('/','_'), #blueprint.url_for('process_structure','analysis', token=tkn_path.replace('/','_')),
             struct_name=token.refcode,
         ))

user_templates/how_to_cite.html

@@ -9,7 +9,7 @@
 <b>Note:</b> if you want to use the code on your computer, you can download the cell2mol python library from the 
 <a href="https://github.com/lcmd-epfl/cell2mol" target="_blank">
 cell2mol GitHub repository
-</a>. You can also find pre-build Docker images for this web app on 
+</a>. You can also find pre-built Docker images for this web app on 
 <a href="https://github.com/lcmd-epfl/tools-cell2mol" target="_blank">
 GitHub
 </a>.