From d3563d3648fd199b9fe496e3dda8c312ec1345fc Mon Sep 17 00:00:00 2001 From: ATM Jahid Hasan Date: Thu, 4 Jul 2024 15:35:07 -0400 Subject: [PATCH] Change rdkit-pypi to rdkit in Dockerfile --- docker/Dockerfile | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/docker/Dockerfile b/docker/Dockerfile index a6d1c078b..4d27a7298 100644 --- 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 \