From 2b7b99a11a576661d4a62eaca387dd85017c9f87 Mon Sep 17 00:00:00 2001 From: James Gebbie-Rayet Date: Thu, 27 Aug 2026 15:00:01 +0100 Subject: [PATCH 1/2] Pin aiida-core version to 2.6.3 in Dockerfile --- docker/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docker/Dockerfile b/docker/Dockerfile index 21cc083..e3827c5 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -23,7 +23,7 @@ USER $NB_USER WORKDIR $HOME # Dependencies for the workshop -RUN mamba install -c conda-forge -y aiida-core +RUN mamba install -c conda-forge -y aiida-core=2.6.3 RUN if [ "$TARGETPLATFORM" = "linux/amd64" ]; then \ mamba install conda-forge/linux-64::gromacs=2024.5=nompi_h5f56185_100 -y; \ elif [ "$TARGETPLATFORM" = "linux/arm64" ]; then \ From 544844e58392d5c64d952c9289f589306581ddb3 Mon Sep 17 00:00:00 2001 From: James Gebbie-Rayet Date: Thu, 27 Aug 2026 15:14:21 +0100 Subject: [PATCH 2/2] Update aiida-core version to 2.7.5 --- docker/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docker/Dockerfile b/docker/Dockerfile index e3827c5..56493e1 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -23,7 +23,7 @@ USER $NB_USER WORKDIR $HOME # Dependencies for the workshop -RUN mamba install -c conda-forge -y aiida-core=2.6.3 +RUN mamba install -c conda-forge -y aiida-core=2.7.5 RUN if [ "$TARGETPLATFORM" = "linux/amd64" ]; then \ mamba install conda-forge/linux-64::gromacs=2024.5=nompi_h5f56185_100 -y; \ elif [ "$TARGETPLATFORM" = "linux/arm64" ]; then \