add ASE dependency to build image (#166)

NWChemEx · Dec 17, 2024 · 2485adf · 2485adf
1 parent d49f931
commit 2485adf
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/nwx_build_environment/nwx_buildenv.dockerfile b/nwx_build_environment/nwx_buildenv.dockerfile
@@ -22,7 +22,7 @@ RUN apt-get update \
     libxml2-dev \
     libxslt-dev \
     nwchem \
-    && pip install gcovr numpy qcelemental qcengine networkx \
+    && pip install gcovr numpy qcelemental qcengine networkx ase \
     && apt-get clean && rm -rf /var/lib/apt/lists/*
 
 COPY toolchains /toolchains