diff --git a/environment.yml b/environment.yml new file mode 100644 index 00000000..9b027708 --- /dev/null +++ b/environment.yml @@ -0,0 +1,10 @@ +name: gw +channels: +- becksteinlab +dependencies: +- gromacs-5.1.2 +- numpy>=1.9 +- scipy +- pandas +- pip: + - recsql>=0.7