diff --git a/mpie_cmti/environment.yml b/mpie_cmti/environment.yml
index 515f2fbb..343c0b37 100644
--- a/mpie_cmti/environment.yml
+++ b/mpie_cmti/environment.yml
@@ -17,6 +17,7 @@ dependencies:
 - lammps =2024.06.27=*openmpi*
 - llama-index =0.14.4
 - matgl =1.0.0
+- maxvolpy==0.3.8
 - nbgitpuller =1.2.2
 - netcdf4 =1.7.2
 - nglview =3.1.4
diff --git a/requirements.txt b/requirements.txt
index bd76c547..846981b9 100644
--- a/requirements.txt
+++ b/requirements.txt
@@ -30,6 +30,7 @@ pytorch==2.3.1
 tensorflow==2.17.0
 llama-index==0.14.4
 netcdf4==1.7.2
+maxvolpy==0.3.8
 bokeh==3.8.0
 dscribe==2.1.2
 landau==1.4