Merge pull request #654 from ATM-Jahid/fix-docker

Change rdkit-pypi to rdkit in Dockerfile
libAtoms · Jul 15, 2024 · 0e1d713 · 0e1d713
2 parents 7c428af + d3563d3
commit 0e1d713
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/docker/Dockerfile b/docker/Dockerfile
@@ -81,8 +81,8 @@ RUN pip install --upgrade pip \
         jupyter \
         numpy \
         scipy \
-        scikit-learn\
-        scikit-build\
+        scikit-learn \
+        scikit-build \
         matplotlib \
         pyamg \
         imolecule \
@@ -91,7 +91,7 @@ RUN pip install --upgrade pip \
         nbsphinx \
         numpydoc \
         spglib \
-        rdkit-pypi \
+        rdkit \
         nglview \
         pandas \
         phonopy \