Bootcamp: Changesset 6

[dgasmith]

diff --git a/qcengine/programs/molpro.py b/qcengine/programs/molpro.py
index d618956..8054308 100644
--- a/qcengine/programs/molpro.py
+++ b/qcengine/programs/molpro.py
@@ -4,7 +4,7 @@ Calls the Molpro executable.

 import string
 import xml.etree.ElementTree as ET
-from typing import Any, Dict, List, Optional
+from typing import Any, Dict, List, Set, Tuple, Optional

 from qcelemental.models import Result
 from qcelemental.util import parse_version, safe_version, which
@@ -26,7 +26,7 @@ class MolproHarness(ProgramHarness):
     version_cache: Dict[str, str] = {}

     # Set of implemented dft functionals in Molpro according to dfunc.registry (version 2019.2)
-    _dft_functionals = {
+    _dft_functionals: Set[str] = {
         "B86MGC", "B86R", "B86", "B88C", "B88", "B95", "B97DF", "B97RDF", "BR", "BRUEG", "BW", "CS1", "CS2",
         "DIRAC", "ECERFPBE", "ECERF", "EXACT", "EXERFPBE", "EXERF", "G96", "HCTH120", "HCTH147",
         "HCTH93", "HJSWPBEX", "LTA", "LYP", "M052XC", "M052XX", "M05C", "M05X", "M062XC",
@@ -49,9 +49,9 @@ class MolproHarness(ProgramHarness):
     }

     # Currently supported methods in QCEngine for Molpro
-    _scf_methods = {"HF", "RHF", "KS", "RKS"}
-    _post_hf_methods = {'MP2', 'CCSD', 'CCSD(T)'}
-    _supported_methods = {*_scf_methods, *_post_hf_methods}
+    _scf_methods: Set[str] = {"HF", "RHF", "KS", "RKS"}
+    _post_hf_methods: Set[str] = {'MP2', 'CCSD', 'CCSD(T)'}
+    _supported_methods: Set[str] = {*_scf_methods, *_post_hf_methods}

     class Config(ProgramHarness.Config):
         pass
@@ -113,10 +113,10 @@ class MolproHarness(ProgramHarness):
                 extra_infiles: Optional[List[str]] = None,
                 extra_outfiles: Optional[List[str]] = None,
                 as_binary: Optional[List[str]] = None,
-                extra_commands=None,
+                extra_commands: bool = None,
                 scratch_name: Optional[str] = None,
                 scratch_messy: bool = False,
-                timeout: Optional[int] = None):
+                timeout: Optional[int] = None) -> Tuple[bool, Dict[str, Any]]:
         """
         For option documentation go look at qcengine/util.execute
         """

[nstair]

I got this one!