diff --git a/.devcontainer/devcontainer.json b/.devcontainer.json similarity index 95% rename from .devcontainer/devcontainer.json rename to .devcontainer.json index bf30152..cad6b6e 100644 --- a/.devcontainer/devcontainer.json +++ b/.devcontainer.json @@ -2,10 +2,7 @@ // https://hub.docker.com/_/python { "name": "InChI", - "build": { - "dockerfile": "Dockerfile", - "context": ".." - }, + "image": "gcc:14-bookworm", "features": { "ghcr.io/devcontainers/features/common-utils:2": { "installZsh": true, @@ -51,4 +48,4 @@ } }, "postCreateCommand": "cd INCHI-1-TEST && ./install.sh" -} +} \ No newline at end of file diff --git a/.devcontainer/Dockerfile b/.devcontainer/Dockerfile deleted file mode 100644 index aa50b4a..0000000 --- a/.devcontainer/Dockerfile +++ /dev/null @@ -1,4 +0,0 @@ -FROM gcc:14-bookworm - -RUN apt-get update && apt-get install -y \ - cmake diff --git a/INCHI-1-TEST/install.sh b/INCHI-1-TEST/install.sh index 1cb32fc..8eeb711 100755 --- a/INCHI-1-TEST/install.sh +++ b/INCHI-1-TEST/install.sh @@ -1,6 +1,6 @@ #!/bin/bash -apt update && apt install -y python3-pip +apt update && apt install -y python3-pip cmake python3 -m pip install --upgrade --break-system-packages pip python3 -m pip install --break-system-packages -e .[invariance-tests,development] # Make `python3` available as `python`.