update env file

Author: lukasturcani

.readthedocs.yml

@@ -1,16 +1,12 @@
 version: 2
 
 build:
-    os: "ubuntu-22.04"
-    tools:
-      python: "3.11"
+  os: "ubuntu-22.04"
+  tools:
+    python: "3.11"
 
 sphinx:
-    configuration: "docs/source/conf.py"
+  configuration: "docs/source/conf.py"
 
-python:
-    install:
-        - method: "pip"
-          path: .
-          extra_requirements:
-              - "dev"
+conda:
+  environment: "docs/environment.yml"

docs/environment.yml

@@ -0,0 +1,13 @@
+channels:
+  - conda-forge
+  - defaults
+dependencies:
+  - openff-toolkit
+  - openmm
+  - openmmtools
+  - pip:
+      - numpy
+      - rdkit
+      - stk
+      - networkx
+      - rmsd

pyproject.toml

@@ -25,7 +25,6 @@ dev = [
   "ruff",
   "mypy",
   "moldoc",
-  "pip-tools",
   # TODO: Remove pin when https://github.com/TvoroG/pytest-lazy-fixture/issues/65 is resolved.
   # pytest-lazy-fixture 0.6.0 is incompatible with pytest 8.0.0
   "pytest<8",