Fix skipped tests in CI

.github/workflows/ci.yml

@@ -37,7 +37,7 @@ jobs:
           pip install ."[test]"
       - name: Run tests
         run: |
-          pytest --pyargs responsefun -v -s
+          pytest --pyargs responsefun -v -m "not slow"
 
   formatting:
     name: Code style

.gitignore

@@ -105,5 +105,6 @@ ENV/
 
 # other
 *.zarr
+*tar.gz
 
 responsefun/_version.py

ci_env.yml

@@ -3,7 +3,7 @@ channels:
   - conda-forge
 dependencies:
   - libblas =*=*mkl
-  - adcc >=0.15.16
+  - adcc >=0.15.16,<0.16.0
   - respondo >=0.0.5
   - numpy >=1.14
   - isort

pyproject.toml

@@ -21,7 +21,7 @@ classifiers = [
 requires-python = ">=3.7"
 # Declare any run-time dependencies that should be installed with the package.
 dependencies = [
-    "adcc>=0.15.16",
+    "adcc>=0.15.16,<0.16.0",
     "respondo>=0.0.5",
     "numpy>=1.14",
     "sympy",
@@ -40,7 +40,7 @@ test = [
   "pytest-cov",
   "pytest-runner",
   "pyscf",
-  "zarr",
+  "zarr>=2,<3",
 ]
 
 [tool.pytest.ini_options]

responsefun/conftest.py

@@ -0,0 +1,27 @@
+# taken from respondo
+
+import os
+
+
+def update_testdata(session):
+    import subprocess
+
+    testdata_dir = os.path.join(os.path.dirname(__file__), "testdata")
+    cmd = [testdata_dir + "/0_download_testdata.sh"]
+    subprocess.check_call(cmd)
+
+
+#
+# Pytest Hooks
+#
+
+
+def pytest_addoption(parser):
+    parser.addoption(
+        "--skip-update", default=False, action="store_true", help="Skip updating testdata"
+    )
+
+
+def pytest_collection(session):
+    if not session.config.option.skip_update:
+        update_testdata(session)

responsefun/testdata/0_download_testdata.sh

@@ -0,0 +1,37 @@
+#!/bin/bash
+
+# taken from respondo
+
+SOURCE="https://wwwagdreuw.iwr.uni-heidelberg.de/responsefun_test_data/0.1.0"
+DATAFILES=(
+	data_0.1.0.tar.gz
+)
+#
+# -----
+#
+
+THISDIR=$(dirname "${BASH_SOURCE[0]}")
+cd "$THISDIR"
+echo "Updating testdata ... please wait."
+
+download() {
+	if which wget &> /dev/null; then
+	    echo $@
+		wget -w 1 -qN --show-progress --no-check-certificate $@
+	else
+		echo "wget not installed" >&2
+		exit 1
+	fi
+}
+
+download $(for file in ${DATAFILES[@]}; do echo $SOURCE/$file; done)
+
+if which sha256sum &> /dev/null; then
+	sha256sum --ignore-missing -c SHA256SUMS || exit 1
+fi
+
+for file in ${DATAFILES[@]}; do
+    tar -xzf $file
+done
+
+exit 0

responsefun/testdata/SHA256SUMS

@@ -0,0 +1 @@
+7530b9a13c5ad9fccd25f23981e291f5baf158dfa4b939c6c20a3b2db1d2e184  data_0.1.0.tar.gz