From 79d6a5026bd84294479c1595144ff325790e5474 Mon Sep 17 00:00:00 2001 From: James Gebbie-Rayet Date: Thu, 1 Oct 2026 15:34:45 +0100 Subject: [PATCH 1/2] Update Dockerfile --- docker/Dockerfile | 1 - 1 file changed, 1 deletion(-) diff --git a/docker/Dockerfile b/docker/Dockerfile index 93a870c..322eae0 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -14,7 +14,6 @@ RUN conda install -y -c conda-forge \ conda-forge::nglview=4.0.1 RUN pip install --no-cache-dir \ mdtraj==1.11.1.post2 \ - mdplus==0.1.2 COPY docker/fix-nglview.sh /tmp/fix-nglview.sh RUN bash /tmp/fix-nglview.sh From aa386607c19aa4f9d777137abeac46c6aadea468 Mon Sep 17 00:00:00 2001 From: James Gebbie-Rayet Date: Thu, 1 Oct 2026 15:40:22 +0100 Subject: [PATCH 2/2] fix oops --- docker/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docker/Dockerfile b/docker/Dockerfile index 322eae0..5ef6392 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -13,7 +13,7 @@ RUN conda install -y -c conda-forge \ conda-forge::matplotlib=3.11.1 \ conda-forge::nglview=4.0.1 RUN pip install --no-cache-dir \ - mdtraj==1.11.1.post2 \ + mdtraj==1.11.1.post2 COPY docker/fix-nglview.sh /tmp/fix-nglview.sh RUN bash /tmp/fix-nglview.sh