test commit

.github/workflows/build.yml

@@ -3,112 +3,52 @@ name: CI
 on: [push, pull_request]
 
 jobs:
-  build-Linux:
-
-    runs-on: ubuntu-22.04
-
-    strategy:
-      matrix:
-        python-version: ["3.9", "3.10", "3.11", "3.12", "3.13"]
-
-    steps:
-    - uses: actions/checkout@v4
-
-    - name: Set up Python
-      uses: actions/setup-python@v5
-      with:
-        python-version: ${{ matrix.python-version }}
-
-    - name: Install system dependencies
-      run: |
-        sudo apt-get update
-        sudo apt-get --no-install-recommends install \
-            catch2 \
-            libfreetype6-dev \
-            libglew-dev \
-            libglm-dev \
-            libmsgpack-dev \
-            libnetcdf-dev \
-            libpng-dev \
-            libxml2-dev
-
-    - name: Install collada2gltf
-      run: |
-        wget -nv https://anaconda.org/schrodinger/collada2gltf/2.1.4/download/linux-64/collada2gltf-2.1.4-h6bb024c_0.tar.bz2
-        sudo tar xf collada2gltf-*.tar.bz2 -C / bin/collada2gltf
-
-    - name: Get additional sources
-      run: |
-        git clone --depth 1 https://github.com/rcsb/mmtf-cpp.git
-        cp -R mmtf-cpp/include/mmtf* include/
-
-    - name: Build
-      run: |
-        pip install --upgrade pip
-        pip install -v --config-settings testing=True '.[dev]'
-      env:
-        DEBUG: 1
-
-    - name: Test
-      run: |
-        pymol -ckqy testing/testing.py --run all
-
   build-Windows:
 
     runs-on: windows-latest
 
     strategy:
       matrix:
-        python-version: ["3.9", "3.10", "3.11", "3.12", "3.13"]
+        python-version: ["3.9"]
 
     env:
-      CONDA_ROOT: ${{github.workspace}}\..\tmp\miniforge
       CONDA_ENV_NAME: "testing_env"
-      CONDA_PREFIX: ${{github.workspace}}\..\tmp\miniforge\envs\testing_env
-      MINIFORGE_EXEC: ${{github.workspace}}\..\tmp\miniforge.exe
 
     steps:
     - uses: actions/checkout@v4
 
-    - name: Download Miniforge
+    - name: Install Miniforge
       run: |
-        if (-Not (Test-Path -Path $env:CONDA_ROOT)) {
-          New-Item -ItemType Directory -Path $env:CONDA_ROOT
-        }
-        Invoke-WebRequest -Uri https://github.com/conda-forge/miniforge/releases/download/24.11.0-0/Miniforge3-24.11.0-0-Windows-x86_64.exe -OutFile $env:MINIFORGE_EXEC
-        Start-Process -Wait -FilePath $env:MINIFORGE_EXEC -ArgumentList "/S", "/D=$env:CONDA_ROOT"
+        choco install miniforge3 --yes --force
 
     - name: Add conda to PATH
       run: |
-        echo "$env:CONDA_ROOT" | Out-File -Append -FilePath $env:GITHUB_PATH
-        echo "$env:CONDA_ROOT\Scripts" | Out-File -Append -FilePath $env:GITHUB_PATH
+        echo "$env:CONDA" | Out-File -Append -FilePath $env:GITHUB_PATH
+        echo "$env:CONDA\Scripts" | Out-File -Append -FilePath $env:GITHUB_PATH
 
     - name: Set up Miniforge
       run: |
-        conda create -n $env:CONDA_ENV_NAME python=${{ matrix.python-version }} pip
-        activate $env:CONDA_ENV_NAME
-        conda install -y -c conda-forge -c schrodinger `
-            libpng `
+        conda init powershell
+        conda config --set auto_activate_base false -q
+        conda create --name $env:CONDA_ENV_NAME pip python=${{ matrix.python-version }}
+        conda install --name $env:CONDA_ENV_NAME -y -c conda-forge -c schrodinger `
+            catch2=2.13.3 `
+            cxx-compiler `
+            collada2gltf `
             freetype `
             glew `
-            libxml2 `
-            catch2=2.13.3 `
             glm `
+            libpng `
+            libxml2 `
             libnetcdf `
-            collada2gltf `
-            libffi `
-            cxx-compiler
-        conda info
+            libffi
 
     - name: Get additional sources
       run: |
         git clone --depth 1 https://github.com/rcsb/mmtf-cpp.git
         Copy-Item -Recurse -Path mmtf-cpp/include/mmtf\* -Destination "$env:CONDA_PREFIX\Library\include"
         git clone --depth 1 --single-branch --branch cpp_master https://github.com/msgpack/msgpack-c.git
         Copy-Item -Recurse -Path msgpack-c/include/msgpack\* -Destination "$env:CONDA_PREFIX\Library\include"
-        dir mmtf-cpp/include/mmtf
-        dir msgpack-c/include/msgpack
-        dir "$env:CONDA_ROOT\envs\$env:CONDA_ENV_NAME\Library\include"
 
     - name: Build PyMOL
       run: |
@@ -120,61 +60,3 @@ jobs:
         activate $env:CONDA_ENV_NAME
         pymol -ckqy testing\testing.py --run all
 
-  build-MacOS:
-
-    runs-on: macos-latest
-
-    strategy:
-      matrix:
-        python-version: ["3.9", "3.10", "3.11", "3.12", "3.13"]
-
-    env:
-      CONDA_ROOT: "/tmp/miniforge"
-      CONDA_ENV_NAME: "testing_env"
-
-    steps:
-    - uses: actions/[email protected]
-
-    - name: Download Miniforge
-      run: |
-        curl -L -o $CONDA_ROOT.sh https://github.com/conda-forge/miniforge/releases/download/24.11.0-0/Miniforge3-MacOSX-x86_64.sh
-        bash $CONDA_ROOT.sh -b -p $CONDA_ROOT
-
-    - name: Add conda to PATH
-      run: |
-        echo "${CONDA_ROOT}/bin" >> "$GITHUB_PATH"
-
-    - name: Set up Miniforge
-      run: |
-        conda create -n $CONDA_ENV_NAME python=${{ matrix.python-version }} pip
-        source activate $CONDA_ENV_NAME
-        conda install -y -c conda-forge -c schrodinger \
-            libpng \
-            freetype \
-            glew \
-            libxml2 \
-            catch2=2.13.3 \
-            glm \
-            libnetcdf \
-            collada2gltf
-        conda info
-
-    - name: Get additional sources
-      run: |
-        source activate $CONDA_ENV_NAME
-        git clone --depth 1 https://github.com/rcsb/mmtf-cpp.git
-        cp -R mmtf-cpp/include/mmtf* ${CONDA_PREFIX}/include/
-        git clone --depth 1 --single-branch --branch cpp_master https://github.com/msgpack/msgpack-c.git
-        cp -R msgpack-c/include/msgpack* ${CONDA_PREFIX}/include/
-
-    - name: Build PyMOL
-      run: |
-        source activate $CONDA_ENV_NAME
-        export MACOSX_DEPLOYMENT_TARGET=12.0
-        pip install -v --config-settings testing=True '.[dev]'
-
-    - name: Test
-      run: |
-        source activate $CONDA_ENV_NAME
-        pymol -ckqy testing/testing.py --run all
-

setup.py

@@ -811,7 +811,11 @@ def get_packages(base, parent="", r=None):
 # Python includes
 inc_dirs.append(sysconfig.get_paths()["include"])
 inc_dirs.append(sysconfig.get_paths()["platinclude"])
-
+print("Asdfasdfasdfasd")
+print(inc_dirs)
+print(sys.prefix)
+print(sys.version)
+print(sys.prefix)
 champ_inc_dirs = ["contrib/champ"]
 champ_inc_dirs.append(sysconfig.get_paths()["include"])
 champ_inc_dirs.append(sysconfig.get_paths()["platinclude"])