From 523de139d8c9024bbd3f85125a4f247d3a5d11a5 Mon Sep 17 00:00:00 2001 From: Xing Wang Date: Mon, 23 Dec 2024 17:04:37 +0100 Subject: [PATCH] Install aiida-pseudos from repo to avoid download issue (#1028) Since `aiida-pseudo` need `aiida-core` > 2.6, however, we still want to support the previous aiida-core version, so in the image, we use the lastest aiida-pseudo to download the pseudos and install it. After the pseudos are installed, it can be used by the App. This is a temporary solution to install aiida-pseudos from repo to avoid downloading issues. --- Dockerfile | 6 ++++++ tests_integration/test_app.py | 4 +--- 2 files changed, 7 insertions(+), 3 deletions(-) diff --git a/Dockerfile b/Dockerfile index 6016d1aee..158699d2c 100644 --- a/Dockerfile +++ b/Dockerfile @@ -58,6 +58,12 @@ RUN wget -c -O hq.tar.gz https://github.com/It4innovations/hyperqueue/releases/d tar xf hq.tar.gz -C /opt/conda/ ENV PSEUDO_FOLDER=/tmp/pseudo +# temporary solution to install aiida-pseudos from repo to avoid downloading issues +RUN --mount=from=uv,source=/uv,target=/bin/uv \ + --mount=from=build_deps,source=${UV_CACHE_DIR},target=${UV_CACHE_DIR},rw \ + uv pip install --system --strict --cache-dir=${UV_CACHE_DIR} \ + "aiida-pseudo@git+https://github.com/aiidateam/aiida-pseudo" + RUN mkdir -p ${PSEUDO_FOLDER} && \ python -m aiidalab_qe download-pseudos --dest ${PSEUDO_FOLDER} diff --git a/tests_integration/test_app.py b/tests_integration/test_app.py index 746f3b521..09260f055 100755 --- a/tests_integration/test_app.py +++ b/tests_integration/test_app.py @@ -33,9 +33,7 @@ def test_qe_app_select_silicon_and_confirm( element.click() try: - driver.find_element( - By.XPATH, "//option[@value='Diamond (primitive cell)']" - ).click() + driver.find_element(By.XPATH, "//option[@value='Diamond']").click() time.sleep(10) element = WebDriverWait(driver, 60).until( EC.element_to_be_clickable((By.XPATH, "//button[text()='Confirm']"))