diff --git a/.github/workflows/docker.yml b/.github/workflows/docker.yml index 400859f4e..2120e957b 100644 --- a/.github/workflows/docker.yml +++ b/.github/workflows/docker.yml @@ -17,6 +17,7 @@ on: - .github/actions/load-image/action.yml - src/** + - docker/** - qe.ipynb - setup.cfg - pyproject.toml @@ -40,6 +41,7 @@ on: - .github/actions/load-image/action.yml - src/** + - docker/** - qe.ipynb - setup.cfg - pyproject.toml diff --git a/docker/Dockerfile b/docker/Dockerfile index 0e6d4006c..91caf41c1 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -1,7 +1,6 @@ # syntax=docker/dockerfile:1 FROM base-image - # Copy whole repo and pre-install the dependencies and app to the tmp folder. # In the before notebook scripts the app will be re-installed by moving it to the app folder. ENV PREINSTALL_APP_FOLDER ${CONDA_DIR}/aiidalab-qe @@ -12,7 +11,8 @@ USER ${NB_USER} RUN cd ${PREINSTALL_APP_FOLDER} && \ # Remove all untracked files and directories. For example the setup lock flag file. git clean -fx && \ - pip install . --no-cache-dir && \ + # It is important to install from `aiidalab install` to mimic the same installation operation from the app store. + aiidalab install --yes --python "/opt/conda/bin/python" "quantum-espresso@file://${PREINSTALL_APP_FOLDER}" && \ fix-permissions "${CONDA_DIR}" && \ fix-permissions "/home/${NB_USER}" diff --git a/setup.py b/setup.py new file mode 100644 index 000000000..b908cbe55 --- /dev/null +++ b/setup.py @@ -0,0 +1,3 @@ +import setuptools + +setuptools.setup()