From 735919cb58a697bd4a27e4903a893a090f3cbe92 Mon Sep 17 00:00:00 2001 From: Joe Greener Date: Fri, 3 Sep 2021 11:05:36 +0100 Subject: [PATCH] bump version 1.0 --- .github/workflows/CI.yml | 2 ++ setup.py | 2 +- 2 files changed, 3 insertions(+), 1 deletion(-) diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index 23ec33c..7c06ba3 100644 --- a/.github/workflows/CI.yml +++ b/.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 diff --git a/setup.py b/setup.py index 1d81e4b..7741af8 100644 --- a/setup.py +++ b/setup.py @@ -5,7 +5,7 @@ setuptools.setup( name="cgdms", - version="0.1.2", + version="1.0", author="Joe G Greener", author_email="j.greener@ucl.ac.uk", description="Differentiable molecular simulation of proteins with a coarse-grained potential",