Rework dependency resolution, use Poetry and pip

.github/workflows/download_data.yml

@@ -24,16 +24,27 @@ jobs:
     timeout-minutes: 180
     steps:
       - uses: actions/checkout@v7
+
+      - name: Install poetry
+        shell: bash
+        run: pipx install poetry==2.4.1
+
       - name: Set up Python
         uses: actions/setup-python@v7
         with:
-          python-version: 3.11
+          python-version: 3.13
+
       - name: Install dependencies
         run: |
+          python -m venv envdata
+          source envdata/bin/activate
           python -m pip install --upgrade pip
           pip install -e .
+          poetry install
+
       - name: Run download script
-        run: bash bin/download_scopesim_data.sh
+        # run: poetry run main_script  # doesn't work, with nonsensical message -.-
+        run: poetry run bash bin/download_scopesim_data.sh
 
       # Create a PR with the changes from the above script, if any.
       - name: Create Pull Request

bin/download_scopesim_data.sh

@@ -26,8 +26,6 @@ function cleanup {
 trap cleanup EXIT
 
 
-
-
 if [[ $# -gt 1 ]]; then
   echo "Usage: $0 [data directory]"
   exit 2
@@ -51,75 +49,37 @@ mkdir -p "${DIR_DATA}"
 export SCOPESIM_DATA_CI_FLAG=1
 
 # Create the environment.
-pushd "${DIR_WORK}"
 python -m venv envdata
 source envdata/bin/activate
-pipx install poetry==2.4.1
+pip install -e .
+pushd "${DIR_WORK}"
 
 # Download and install all the packages. Has to be done from git, because the
 # releases do not (always) have the test files.
 # All poetry files are updated with `poetry update` to ensure we test the latest
 # versions of our dependencies.
 
-# Pyckles must go first, because otherwise it uninstalls scipy (????). See
-# https://stackoverflow.com/questions/67085976/how-to-stop-poetry-from-uninstalling-packages
 git clone https://github.com/AstarVienna/Pyckles.git
-pushd Pyckles
-poetry install --with=test,docs
-poetry update --with=test,docs
-popd
-
 git clone https://github.com/AstarVienna/speXtra.git
-pushd speXtra
-poetry install --with=test,docs
-poetry update --with=test,docs
-popd
-
 git clone https://github.com/AstarVienna/ScopeSim.git
-pushd ScopeSim
-poetry install --with=test,dev,docs
-poetry update --with=test,dev,docs
-popd
-
 git clone https://github.com/AstarVienna/skycalc_ipy.git
-pushd skycalc_ipy
-poetry install --with=test,docs
-poetry update --with=test,docs
-popd
-
 git clone https://github.com/AstarVienna/AnisoCADO.git
-pushd AnisoCADO
-poetry install --with=test,docs
-poetry update --with=test,docs
-popd
-
 git clone https://github.com/AstarVienna/ScopeSim_Templates.git
-pushd ScopeSim_Templates
-poetry install --with=test,dev,docs
-poetry update --with=test,dev,docs
-popd
-
 git clone https://github.com/AstarVienna/irdb.git
+
+# These need to be in descending order to avoid overwriting
+# a dev install with a released version.
 pushd irdb
 # irdb doesn't use poetry yet
 pip install -r requirements.github_actions.txt
 popd
 
-# poetry update will upgrade only to the latest versions that are released.
-# The packages will therefore downgrade each other.
-# But ScopeSim_Data should use the latest version of all our projects
-# (to download the data they need, and to test whether they work together).
-# So the projects need to be installed again.
-# Note that it is not possible to only use pip, poetry is required to install
-# the dependency groups (that is, dev/test/docs). See
-# https://stackoverflow.com/questions/76118614/is-it-possible-to-install-poetry-groups-with-pip
-pip install -e Pyckles
-pip install -e speXtra
-pip install -e ScopeSim
 pip install -e ScopeSim_Templates
+pip install -e ScopeSim
+pip install -e speXtra
 pip install -e skycalc_ipy
+pip install -e Pyckles
 pip install -e AnisoCADO
-# pip install -e irdb
 
 
 # Run the tests.

pyproject.toml

@@ -1,32 +1,42 @@
 [project]
 name = "ScopeSim_Data"
-version = "0.0.1-alpha"
+version = "0.1.0.dev0"
 description = "Data often used by ScopeSim and related tools."
 readme = "README.md"
-requires-python = ">=3.8"
-license = {text = "License :: OSI Approved :: GNU General Public License v3 (GPLv3)"}
+requires-python = ">=3.12, <3.15"
+license = "GPL-3.0-or-later"
 authors = [
-    {name = "Hugo Buddelmeijer", email="hugo@buddelmeijer.nl"},
+    {name = "Hugo Buddelmeijer", email = "hugo@buddelmeijer.nl"},
 ]
 maintainers = [
-    {name = "Kieran Leschinski", email="kieran.leschinski@unive.ac.at"},
-    {name = "Hugo Buddelmeijer", email="hugo@buddelmeijer.nl"},
+    {name = "Kieran Leschinski", email = "kieran.leschinski@univie.ac.at"},
+    {name = "Hugo Buddelmeijer", email = "hugo@buddelmeijer.nl"},
+    {name = "Fabian Haberhauer", email = "fabian.haberhauer@univie.ac.at"},
 ]
-classifiers=[
+dynamic = [ "classifiers" ]
+dependencies = []
+
+[project.urls]
+"Source" = "https://github.com/AstarVienna/ScopeSim_Data"
+
+[tool.poetry]
+package-mode = true  # Needs to pretend to be a package to be imported
+classifiers = [
     "Programming Language :: Python :: 3",
-    "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
     "Operating System :: OS Independent",
     "Intended Audience :: Science/Research",
     "Topic :: Scientific/Engineering :: Astronomy",
 ]
-dependencies = []
 
-[project.urls]
-"Source" = "https://github.com/AstarVienna/ScopeSim_Data"
+[tool.poetry.group.test.dependencies]
+pytest = "^9.1.1"
+pytest-notebook = ">=0.11.0"
+myst-nb = "^1.4.0"
+
+[tool.poetry.scripts]
+main_script = { reference = "bin/download_scopesim_data.sh", type = "file" }
 
-# TODO: Figure out whether the below actually puts the script in the PATH somewhere.
-[tools.setuptools]
-script_files = "bin/download_scopesim_data.sh"
+[build-system]
+requires = ["poetry-core>=2.0.0,<3.0.0"]
+build-backend = "poetry.core.masonry.api"
 
-[tool.setuptools.packages]
-find = {}