Single File Installer (#95)

.github/workflows/installer.yaml

@@ -0,0 +1,97 @@
+name: Make single-file installers
+
+on:
+  workflow_dispatch:
+
+jobs:
+  test:
+    name: Building single file installer on ${{ matrix.os }}, Python ${{ matrix.python-version }}
+
+    runs-on: ${{ matrix.os }}
+
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [macOS-latest, ubuntu-latest]
+        python-version: [3.8, 3.9]
+
+    env:
+      CI_OS: ${{ matrix.os }}
+      PYVER: ${{ matrix.python-version }}
+
+    steps:
+    - uses: actions/checkout@v3
+
+    - uses: conda-incubator/setup-miniconda@v2.1.1
+      with:
+        python-version: ${{ matrix.python-version }}
+        activate-environment: constructor
+        environment-file: devtools/conda-envs/installer.yaml
+        auto-activate-base: false
+
+    - name: Additional info about the build
+      shell: bash
+      run: |
+        uname -a
+        df -h
+        ulimit -a
+    - name: Environment Information
+      shell: bash -l {0}
+      run: |
+        conda info
+        conda list
+    - name: Prepare and run the constructor
+      shell: bash -l {0}
+      run: |
+        #cd ..
+        # Find the tag of the last release (excluding RCs)
+        # TODO: Make this a variable that can be passed through from trigger and/or allow RC
+        # TODO: not sure why grep is failing to match v0.0.1 here
+        #export LATEST_TAG=$(git ls-remote --tags https://github.com/openfreeEnergy/openfe.git | cut -f2 | grep -E "([0-9]+)\.([0-9]+)\.([0-9]+)$" | sort --version-sort | tail -1 | sed 's/refs\/tags\///')
+        export LATEST_TAG=$(git ls-remote --tags https://github.com/openfreeEnergy/openfe.git | cut -f2 | sort --version-sort | tail -1 | sed 's/refs\/tags\///')
+        echo $LATEST_TAG
+        git clone https://github.com/openfreeEnergy/toolkit-installer-constructor
+        ls -l devtools
+        ls -l devtools/scripts
+        cd toolkit-installer-constructor
+        echo latest tag $LATEST_TAG pyver $PYVER ci os $CI_OS
+        python ../devtools/scripts/build_cookiecutter_json.py $LATEST_TAG $PYVER $CI_OS
+        cp new_cookiecutter.json cookiecutter/cookiecutter.json
+        cat new_cookiecutter.json
+        python run.py
+        pwd
+        ls
+        ls build
+    - name: Upload installer as artifact
+      uses: actions/upload-artifact@v2
+      with:
+        name: ${{ matrix.os }}_py${{ matrix.python-version }}.sh  
+        path: toolkit-installer-constructor/build/openfe*/openfe*.sh
+
+    - name: Install from installer
+      shell: bash -l {0}
+      run: |
+        #cd ..
+        pwd
+        ls
+        ls toolkit-installer-constructor
+        ls toolkit-installer-constructor/build
+        ls toolkit-installer-constructor/build/openfe-*/
+        mkdir scratch
+        cd scratch
+        echo $HOME/constructor_install/ | bash ../toolkit-installer-constructor/build/openfe-*/openfe-*.sh
+        conda activate $HOME/constructor_install/
+        conda info
+        conda list
+        export FOUND_VER=$(python -c "import openfe; print(openfe.__version__)")
+        export LATEST_TAG=$(git ls-remote --tags https://github.com/openfreeEnergy/openfe.git | cut -f2 | grep -v "rc" | tail -1 | sed 's/refs\/tags\///')
+        echo $LATEST_TAG
+        echo $FOUND_VER
+        #TODO fix version on conda-forge release
+        #if [[ $LATEST_TAG != $FOUND_VER ]];
+        #  then echo "Version mismatch"
+        #  exit 1
+        #fi
+        # This should work if run directly at release time, but a safer approach would be
+        # to `git checkout` the corresponding tag of the release, see PR #577
+        pytest -v ../openfe/tests/

devtools/conda-envs/installer.yaml

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+name: constructor
+
+channels:
+  - defaults
+  - conda-forge
+
+dependencies:
+  - conda-build
+  - conda
+  - constructor=>3.1
+  - cookiecutter

devtools/scripts/build_cookiecutter_json.py

@@ -0,0 +1,23 @@
+import sys
+import json
+
+
+release_tag = sys.argv[1]
+python_version = sys.argv[2]
+ci_os = sys.argv[3]
+
+platform_mapping = {
+    "ubuntu-latest": "linux-64",
+    "macOS-latest": "osx-64",
+}
+
+data = {
+    "name": "openfe",
+    "channel": "conda-forge",
+    "python": [python_version],
+    "platform": [platform_mapping[ci_os]],
+    "release": release_tag,
+}
+
+with open("new_cookiecutter.json", "w") as fp:
+    json.dump(data, fp)