From c27f74726bebdfd31640088109646a902173130b Mon Sep 17 00:00:00 2001 From: James Gebbie-Rayet Date: Mon, 5 Jan 2026 11:29:32 +0000 Subject: [PATCH] Pin numpy version to 2.3.5 in Dockerfile Numpy have deprecated certain features causing htmd to fail to do certain tasks. Pinning until it is fixed upstream. --- docker/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docker/Dockerfile b/docker/Dockerfile index 059014c..8bff261 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -9,7 +9,7 @@ USER $NB_USER WORKDIR $HOME # Install workshop deps -RUN mamba install -c acellera -c conda-forge ambertools htmd matplotlib mdtraj nglview numpy -y +RUN mamba install -c acellera -c conda-forge ambertools htmd matplotlib mdtraj nglview numpy=2.3.5 -y # Get workshop files and move them to jovyan directory. COPY --chown=1000:100 . .