bump version 1.0

Author: jgreener64

.github/workflows/CI.yml

@@ -71,3 +71,5 @@ jobs:
       run: cgdms energy -i cgdms/protein_data/example/1CRN.txt
     - name: Test thread
       run: cgdms thread -i cgdms/protein_data/example/1CRN.txt -s cgdms/protein_data/example/seqs.txt -m 50
+    - name: Test design
+      run: cgdms design -i cgdms/protein_data/example/1CRN.txt -n 5 -m 50

setup.py

@@ -5,7 +5,7 @@
 
 setuptools.setup(
     name="cgdms",
-    version="0.1.2",
+    version="1.0",
     author="Joe G Greener",
     author_email="[email protected]",
     description="Differentiable molecular simulation of proteins with a coarse-grained potential",