Cirrus deploy wheels (#4150)

* A start

* it's 10 pm, why are you reading this?

* never gonna give you up (package dir)

* Almost definitely going to let you down

* real tokens this time around

* fix linux image to use docker

* check why wheel upload task isn't being triggered

* _task is a protected string

* Try something stupid

* wheels go in the house

* bash is a horrible language

* fix release tag check

* switch image type

* yes yes bash, have your fi

* use pipx run method

* somehow that if statement is getting triggered

* fix if/else branch

* complete the circle

* remove block on arm64 dependency

* clean up cirrus.star

* fix star file

* why is there no trigger?

* Add return statements

* update changelog

.cirrus.star

@@ -10,9 +10,21 @@ load("cirrus", "env", "fs")
 
 def main(ctx):
     # Default case: don't do anything if not in the core repo
-    # or if you're not targetting the develop branch
-    if ((env.get("CIRRUS_REPO_FULL_NAME") != "MDAnalysis/mdanalysis")
-        or (env.get("CIRRUS_BASE_BRANCH") != "develop")):
+    if env.get("CIRRUS_REPO_FULL_NAME") != "MDAnalysis/mdanalysis":
         return []
 
-    return fs.read("maintainer/ci/cirrus-ci.yml")
+    # Some debugging to know what state you are in, by default everything is None but PR
+    print(env.get("CIRRUS_TAG") == None)
+    print(env.get("CIRRUS_RELEASE") == None)
+    print(env.get("CIRRUS_PR") != None)
+    print(env.get("CIRRUS_BASE_BRANCH") == "develop")
+
+    # If you're targetting develop and it's a PR, run a CI job
+    if ((env.get("CIRRUS_BASE_BRANCH") == "develop") and (env.get("CIRRUS_PR") != None)):
+        return fs.read("maintainer/ci/cirrus-ci.yml")
+
+    # If you've tagged a package or released something, deploy
+    if ((env.get("CIRRUS_TAG") != None) or (env.get("CIRRUS_RELEASE") != None)):
+        return fs.read("maintainer/ci/cirrus-deploy.yml")
+
+    return []

maintainer/ci/cirrus-deploy.yml

@@ -0,0 +1,79 @@
+build_and_store_wheels: &BUILD_AND_STORE_WHEELS
+  install_cibuildwheel_script:
+    - python -m pip install cibuildwheel==2.12.3
+  run_cibuildwheel_script:
+    - cibuildwheel ./package
+  wheels_artifacts:
+    path: "wheelhouse/*"
+
+
+linux_aarch64_wheel_task:
+  compute_engine_instance:
+    image_project: cirrus-images
+    image: family/docker-builder-arm64
+    architecture: arm64
+    platform: linux
+    cpu: 4
+    memory: 4G
+  env:
+    CIBW_BUILD: cp39-manylinux* cp310-manylinux* cp311-manylinux*
+
+  build_script: |
+    apt install -y python3-venv python-is-python3
+    python3 --version
+    python --version
+  <<: *BUILD_AND_STORE_WHEELS
+
+
+macos_arm64_wheel_task:
+  macos_instance:
+    image: ghcr.io/cirruslabs/macos-monterey-xcode:14
+  env:
+    CIBW_BUILD: cp39-* cp310-* cp311-*
+    PATH: /opt/homebrew/opt/[email protected]/bin:$PATH
+
+  build_script: |
+    brew install [email protected]
+    ln -s python3 /opt/homebrew/opt/[email protected]/bin/python
+    python --version
+    python3 --version
+  <<: *BUILD_AND_STORE_WHEELS
+
+
+wheel_upload_task:
+  depends_on:
+    - macos_arm64_wheel
+    - linux_aarch64_wheel
+  compute_engine_instance:
+    image_project: cirrus-images
+    image: family/docker-builder
+    platform: linux
+  env:
+    TESTPYPI: ENCRYPTED[!adb082e719dbf71b700796a3f6969d1ca8ba69879cbf8ce4e969285b2ccd0212a54afea897c8d55174bd18388b22fd7a!]
+    PYPI: ENCRYPTED[!35e6711ac1b0f6ff790a2743db2e02c9efc07a49865252c53f9482c71609946746eb7d05fa75a13c094c9692f4d869d4!]
+  uploady_script: |
+    curl https://api.cirrus-ci.com/v1/artifact/build/$CIRRUS_BUILD_ID/wheels.zip --output wheels.zip
+    unzip wheels.zip
+    ls *
+    ls wheelhouse
+    apt install -y python3-venv python-is-python3
+    python --version
+    python3 --version
+    python -m pip install pipx
+
+    export TWINE_USERNAME="__token__"
+
+    echo $CIRRUS_RELEASE
+    echo $CIRRUS_TAG
+
+    if [ ! -z "$CIRRUS_RELEASE" ]; then
+        echo "RELEASE INCOMING!"
+        export TWINE_PASSWORD=$PYPI
+        pipx run twine upload -r pypi wheelhouse/* --non-interactive
+    elif [[ $CIRRUS_TAG == "package-"* ]]; then
+        echo "Let's get this tested!"
+        export TWINE_PASSWORD=$TESTPYPI
+        pipx run twine upload -r testpypi wheelhouse/* --non-interactive
+    else
+        echo "Nothing to see here I'm afraid"
+    fi

package/CHANGELOG

@@ -53,6 +53,7 @@ Fixes
     (Issue #3336)
 
 Enhancements
+  * ARM64 (osx and linux) wheels now uploaded on release (Issue #4054)
   * Add simple atomic distance analysis to `analysis.atomicdistances` with
     new class `AtomicDistances` (Issue #3654)
   * Add kwarg `n_frames` to class method `empty()` in