Revert some of #195 (#247)

.git-blame-ignore-revs

@@ -0,0 +1,3 @@
+# Black 23
+94875c5bb13a5734b720f99b181e0d6b8639ba39
+9c9f44942e6d6164e4a014491134937b36299d1e

.github/workflows/CI.yml

@@ -24,7 +24,7 @@ jobs:
       fail-fast: false
       matrix:
         python-version:
-          - 3.9
+          - "3.9"
         cfg:
           - os: ubuntu-latest
             conda-env: basic
@@ -59,8 +59,7 @@ jobs:
           SECRET_OE_LICENSE: ${{ secrets.OE_LICENSE }}
 
       - name: Install Package
-        run: |
-          python setup.py develop --no-deps
+        run: python -m pip install .
 
       - name: Conda Environment Information
         run: |

.github/workflows/Lint.yaml

@@ -21,8 +21,7 @@ jobs:
         with:
           python-version: '3.8'
       - name: Install the package
-        run: |
-          python setup.py develop --no-deps
+        run: python -m pip install .
 
       - name: Install isort / black
         run: |

.gitignore

@@ -103,4 +103,7 @@ ENV/
 .mypy_cache/
 
 # PyCharm
-.idea
+.idea
+
+# macOS
+.DS_Store

docs/conf.py

@@ -105,6 +105,10 @@
         "http://docs.qcarchive.molssi.org/projects/qcelemental/en/latest/",
         None,
     ),
+    "openff.docs": (
+        "https://docs.openforcefield.org/en/latest/",
+        None,
+    ),
 }
 
 # Set up mathjax.

docs/installation.md

@@ -8,6 +8,8 @@ The recommended way to install QCSubmit is via the `conda` package manger:
 conda install -c conda-forge openff-qcsubmit
 ```
 
+If you do not have Conda installed, see the [OpenFF installation guide](openff.docs:install)
+
 ### Optional dependencies
 
 If you have access to the OpenEye toolkits (namely `oechem`, `oequacpac`, `oeomega` and `oedepict`), we recommend installing these also as these can speed up various operations performed by this framework significantly: