Draft: feat(wf-unicore-examples): add initial version

This is a workflow package to test the interaction with UNICORE base HPC service.

For the GitLab based testing it might require a UNICORE service container as a stable reference to run against. For install-time tests the UNICORE install of the HPC sites could be used if the site-config exposes the corresponding base URL and quota to use.

packages/wf-unicore-examples/package.py

+# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+from spack import *
+
+
+class WfUnicoreExamples(Package):
+    """Meta-package to collect all dependencies of the UNICORE Examples."""
+
+    homepage="https://www.unicore.eu/"
+    git = "https://gitlab.ebrains.eu/terhorst/supercomputers-via-unicore"
+    maintainer = ["bschuller"]
+
+    version("0.1.0",  tag="v0.1.0")
+    version("master",  branch="master")
+
+    depends_on("py-pyunicore@1.0.0:", type=("run", "test"))
+
+    def install(self, spec, prefix):
+        install_tree(".", join_path(prefix, ""))
+
+    def _nbconvert(self, nb, nb_out):
+        jupyter = Executable("jupyter")
+        args = [
+            "nbconvert",
+            "--ExecutePreprocessor.kernel_name=python3",
+            "--execute",
+            "--to",
+            "notebook",
+            nb,
+            "--output",
+            nb_out
+        ]
+        try:
+            # execute notebook and save
+            jupyter(*args)
+        except Exception as e:
+            # if the above fails, re-run notebook to produce output with error
+            jupyter(*(args+["--allow-errors"]))
+            raise
+
+    def _run_notebooks(self, output_dir):
+        mkdirp(output_dir)
+        for nbname in [
+            '1-Basics 1 - REST API.ipynb',
+            '1-Basics 2 - PyUNICORE.ipynb',
+            '2-Jobs 1 - Running jobs.ipynb',
+            '2-Jobs 2 - Pre and post processing.ipynb',
+            '3-Data 1 - Storages and files.ipynb',
+            '3-Data 2 - Data transfer.ipynb',
+            '4-Workflows 1 - Getting started.ipynb',
+            '4-Workflows 2 - Data handling.ipynb',
+            '5-Hands-On - JUSUF.ipynb',
+            '5-Hands-On - No HPC access.ipynb',
+            ]:
+            self._nbconvert(
+                join_path(self.prefix, nbname),
+                join_path(output_dir, nbname.replace(".ipynb", " - output"))
+            )
+
+    @run_after("install")
+    @on_package_attributes(run_tests=True)
+    def installcheck(self):
+        self._run_notebooks(join_path(self.stage.path, ".install_time_tests"))
+        copy_tree(join_path(self.stage.path, ".install_time_tests"), join_path(self.prefix, '.build'))
+
+    def test_notebook(self):
+        self._run_notebooks(join_path(self.test_suite.stage, self.spec.format("out-{name}-{version}-{hash:7}")))