Complete packaging support (using manylinux)

See RELEASING.md for steps to release a new pygrgl version.

Dockerfile.package

@@ -0,0 +1 @@
+FROM quay.io/pypa/manylinux_2_28_x86_64

RELEASING.md

@@ -16,29 +16,28 @@ Steps:
 
 ## Packaging for PyPi
 
-Build the package distributions for PyPi. We build a source dist and then Linux binary distributions for recent Python versions.
+Build the package distributions for PyPi. We build a source dist and then Linux binary distributions for recent Python versions. The container is based on the [manylinux](https://github.com/pypa/manylinux) project.
 
 ```
 # Remove dist/ to start fresh
 rm -rf dist
 
-# Build the source distribution (for MacOS, mostly)
-python setup.py sdist
+# Build the container based on the manylinux project
+docker build . -f Dockerfile.pkg -t grgl_pkg:latest
 
-# Build the Python3.8 and Python3.9 packages on an older Docker image
-docker build . -f Dockerfile.pkg1 -t grgl_pkg1:latest
-docker run -v $PWD/dist:/dist -it grgl_pkg1:latest bash -c "cp /output/*.whl /dist/"
-
-# Build the Python3.10+ packages on a newer Docker image
-docker build . -f Dockerfile.pkg2 -t grgl_pkg2:latest
-docker run -v $PWD/dist:/dist -it grgl_pkg2:latest bash -c "cp /output/*.whl /dist/"
+# Run the packaging inside the container
+docker run -v $PWD:/io -it grgl_pkg:latest /io/package.sh
 
 # Fix file permissions from Docker
-sudo chown ddehaas dist/*.whl
-sudo chgrp ddehaas dist/*.whl
+sudo chown -R ddehaas dist/
+sudo chgrp -R ddehaas dist/
+
+# Copy the source wheel to wheelhouse
+cp ./dist/*.tar.gz ./dist/wheelhouse/
+
 ```
 
-To upload to PyPi, ensure that your dist directory is clean (only has the packages you _just_ built), then upload via twine:
+To upload to PyPi:
 ```
-python3 -m twine upload dist/*
+python3 -m twine upload dist/wheelhouse/*
 ```

package.sh

@@ -0,0 +1,26 @@
+#!/bin/bash
+
+set -ev
+
+cd /io 
+
+# Build the source distribution
+/opt/python/cp38-cp38/bin/python setup.py sdist
+
+echo "Building for Python 3.8"
+GRGL_GSL=1 GRGL_BGEN=1 /opt/python/cp38-cp38/bin/python setup.py bdist_wheel
+echo "Building for Python 3.9"
+GRGL_GSL=1 GRGL_BGEN=1 /opt/python/cp39-cp39/bin/python setup.py bdist_wheel
+echo "Building for Python 3.10"
+GRGL_GSL=1 GRGL_BGEN=1 /opt/python/cp310-cp310/bin/python setup.py bdist_wheel
+echo "Building for Python 3.11"
+GRGL_GSL=1 GRGL_BGEN=1 /opt/python/cp311-cp311/bin/python setup.py bdist_wheel
+echo "Building for Python 3.12"
+GRGL_GSL=1 GRGL_BGEN=1 /opt/python/cp312-cp312/bin/python setup.py bdist_wheel
+
+cd /io/dist
+auditwheel repair --plat manylinux_2_24_x86_64 pygrgl-1.1-cp38-cp38-linux_x86_64.whl
+auditwheel repair --plat manylinux_2_24_x86_64 pygrgl-1.1-cp39-cp39-linux_x86_64.whl
+auditwheel repair --plat manylinux_2_24_x86_64 pygrgl-1.1-cp310-cp310-linux_x86_64.whl
+auditwheel repair --plat manylinux_2_24_x86_64 pygrgl-1.1-cp311-cp311-linux_x86_64.whl
+auditwheel repair --plat manylinux_2_24_x86_64 pygrgl-1.1-cp312-cp312-linux_x86_64.whl