actions based on sire

.github/workflows/conda_build.yml

@@ -1,38 +1,109 @@
-name: Conda Build
+name: Build
+
 
 on:
+  workflow_dispatch:
   push:
-    branches:
-      - feature/cuda_integration  # Adjust to your branch names as needed
+    branches: [ devel ]
   pull_request:
-    branches:
-      - feature/cuda_integration  # Adjust to your branch names as needed
+    branches: [ devel ]
 
 jobs:
   build:
+    name: build (${{ matrix.python-version }}, ${{ matrix.platform.name }})
+    runs-on: ${{ matrix.platform.os }}
     strategy:
+      max-parallel: 9
+      fail-fast: false
       matrix:
-        os: [ubuntu-latest, macos-latest, windows-latest]
-        python-version: [3.9, 3.10, 3.11, 3.12]  # Adjust Python versions as needed
-
-    runs-on: ${{ matrix.os }}
-
+        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
+        platform:
+          - {
+              name: "windows",
+              os: "windows-latest",
+              shell: "pwsh"
+            }
+          - {
+              name: "linux",
+              os: "ubuntu-latest",
+              shell: "bash -l {0}"
+            }
+          - {
+              name: "macos",
+              os: "macos-latest",
+              shell: "bash -l {0}"
+            }
+    environment:
+      name: sire-build
+    defaults:
+      run:
+        shell: ${{ matrix.platform.shell }}
+    env:
+      SIRE_DONT_PHONEHOME: 1
+      SIRE_SILENT_PHONEHOME: 1
+      REPO: "${{ github.event.pull_request.head.repo.full_name || github.repository }}"
     steps:
-      - name: Checkout repository
-        uses: actions/checkout@v3
-
-      - name: Set up Miniconda
-        uses: conda-incubator/setup-miniconda@v3
+#     Need to install and use VS 2017 for conda-compliant builds
+      - name: Set up Visual Studio 2017 Build Tools (required for Python modules)
+        run: |
+          choco install visualstudio2017-workload-vctools
+        if: matrix.platform.name == 'windows'
+#
+      - uses: conda-incubator/setup-miniconda@v2
         with:
-          activate-environment: base
+          auto-update-conda: true
           python-version: ${{ matrix.python-version }}
-
-      - name: Install conda-build
-        run: |
-          conda install -c conda-forge boa
-        run: |
-          conda config --set anaconda_upload yes
-
-      - name: Build conda package
-        run: |
-          conda mambabuild lyceanem/conda/
+          activate-environment: sire_build
+          miniforge-version: latest
+          miniforge-variant: Mambaforge
+          use-mamba: true
+#
+      - name: Clone the devel branch (push to devel)
+        run: git clone https://github.com/${{ env.REPO }}
+        if: github.event_name != 'pull_request'
+#
+      - name: Clone the feature branch (pull request to devel)
+        run: git clone -b ${{ github.head_ref }} --single-branch https://github.com/${{ env.REPO }}
+        if: github.event_name == 'pull_request'
+#
+      - name: Setup Conda
+        run: mamba install -y -c conda-forge boa anaconda-client packaging=21 pip-requirements-parser
+#
+      - name: Update Conda recipe
+        run:
+          python ${{ github.workspace }}/Sire/actions/update_recipe.py
+#
+      - name: Prepare build location
+        run: mkdir ${{ github.workspace }}/build
+#
+      - name: Build Conda package using mamba build
+        run: conda mambabuild -c conda-forge -c michellab/label/dev ${{ github.workspace }}/Sire/recipes/sire
+#
+#      - name: Collect failed artifacts
+#        run:
+#          python ${{ github.workspace }}/Sire/actions/collect_failed.py
+#        env:
+#          BUILD_DIR: ${{ github.workspace }}/build
+#        if: ${{ failure() }}
+#
+#      - uses: actions/upload-artifact@v3
+#        with:
+#          name: build-${{ matrix.platform.name }}-${{matrix.python-version}}-${{ github.sha }}
+#          path: ${{ github.workspace }}/build/*/sire-*.tar.bz2
+#          retention-days: 10
+#        if: ${{ success() }}
+#
+#      - uses: actions/upload-artifact@v3
+#        with:
+#          name: failed-${{ matrix.platform.name }}-${{matrix.python-version}}-${{ github.sha }}
+#          path: ${{ github.workspace }}/build/failed.tar.bz2
+#          retention-days: 1
+#        if: ${{ failure() }}
+#
+      - name: Upload Conda package
+        run: python ${{ github.workspace }}/Sire/actions/upload_package.py
+        env:
+          SRC_DIR: ${{ github.workspace }}/Sire
+          BUILD_DIR: ${{ github.workspace }}/build
+          ANACONDA_TOKEN: ${{ secrets.ANACONDA_TOKEN }}
+        if: github.event_name != 'pull_request'

actions/upload.py

@@ -0,0 +1,79 @@
+
+import os
+import sys
+import glob
+
+script = os.path.abspath(sys.argv[0])
+
+# go up one directories to get the source directory
+# (this script is in Sire/actions/)
+srcdir = os.path.dirname(os.path.dirname(script))
+
+print(f"sire source is in {srcdir}\n")
+
+# Get the anaconda token to authorise uploads
+if "ANACONDA_TOKEN" in os.environ:
+    conda_token = os.environ["ANACONDA_TOKEN"]
+else:
+    conda_token = "TEST"
+
+# get the root conda directory
+conda = os.environ["CONDA"]
+
+# Set the path to the conda-bld directory.
+conda_bld = os.path.join(conda, "envs", "sire_build", "conda-bld")
+
+print(f"conda_bld = {conda_bld}")
+
+# Find the packages to upload
+pkg_lycean = glob.glob(os.path.join(conda_bld, "*-*", "lyceanem-*.tar.bz2"))
+
+if len(pkg_lycean) == 0:
+    print("No lyceanem packages to upload?")
+    sys.exit(-1)
+
+packages = pkg_lycean
+
+
+
+print(f"Uploading packages:")
+
+
+
+
+
+def run_cmd(cmd):
+    import subprocess
+    p = subprocess.Popen(cmd.split(), stdout=subprocess.PIPE)
+    return str(p.stdout.read().decode("utf-8")).lstrip().rstrip()
+
+gitdir = os.path.join(srcdir, ".git")
+
+tag = run_cmd(f"git --git-dir={gitdir} --work-tree={srcdir} tag --contains")
+
+# If the tag is not empty, then set the label to main (this is a release)
+if tag is not None and tag.lstrip().rstrip() != "":
+    print(f"\nTag {tag} is set. This is a 'main' release.")
+    label = "--label main --label dev"
+else:
+    # this is a development release
+    print("\nNo tag is set. This is a 'devel' release.")
+    label = "--label dev"
+
+# Upload the packages to the michellab channel on Anaconda Cloud.
+cmd = f"anaconda --token {conda_token} upload --user tf17270 {label} --force {packages}"
+
+print(f"\nUpload command:\n\n{cmd}\n")
+
+# Label release packages with main and dev so that dev is at least as new as
+# main. Only need to uncomment the libcpuid and kcombu package uploads when
+# there new versions are released.
+if conda_token == "TEST":
+    print("Not uploading as the ANACONDA_TOKEN is not set!")
+    sys.exit(-1)
+
+output = run_cmd(cmd)
+
+print(output)
+
+print("Package uploaded!")