Slightly better setup.

Author: bbusemeyer

paths.yaml

@@ -0,0 +1,8 @@
+# These are the paths for my laptop! I'm sure they're different for you, so update these so they're right.
+# If you don't have them, just leave it as-is, but you won't be able to use autogen for that program.
+Pcrystal: /home/brian/bin/Pcrystal
+Pproperties: /home/brian/bin/Pproperties
+crystal: /home/brian/bin/crystal
+properties: /home/brian/bin/properties
+pyscf: /home/brian/programs/pyscf
+qwalk: /home/brian/bin/qwalk

setup.py

@@ -1,24 +1,26 @@
+import yaml
 import os
 
 print()
 print("Setting up paths.")
 print()
+print("To use this, make sure you fill out 'paths.yaml'")
 print("You'll need to know the location of Crystal, Crystal's properties component, QWalk,")
 print("and the PySCF library if you want to use any of them in autogen.")
-print("Use absolute paths.")
+print("Use absolute paths where possible.")
 print()
 
 curpaths={}
-keys=['Pcrystal','Pproperties','qwalk','pyscf']
+keys=['crystal','Pcrystal','properties','Pproperties','qwalk','pyscf']
+
+input_paths=yaml.load(open('paths.yaml'))
 
 for key in sorted(keys):
-  path=input("--Enter path for %s (empty to disable): "%key)
-  if path=='': 
-    path=None
+  if key in input_paths and os.path.exists(input_paths[key]):
+    path=input_paths[key]
+    curpaths[key]=path
   else:
-    assert os.path.exists(path),\
-        "Couldn't find '%s', you should check that it exists, or that it's spelled correctly."%path
-  curpaths[key]=path
+    print("Didn't find path for %s, either update it in paths.json, or avoid using it with autogen."%key)
 
 with open('autopaths.py','w') as outf:
   outf.write('paths={}'.format(curpaths))