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

@@ -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}
 

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']"))