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ye11owSub committed Feb 26, 2025
1 parent 4b68c54 commit 32dc41c
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125 changes: 9 additions & 116 deletions .github/workflows/build.yml
Original file line number Diff line number Diff line change
Expand Up @@ -3,63 +3,13 @@ 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
Expand All @@ -85,19 +35,20 @@ jobs:
- name: Set up Miniforge
run: |
conda create -n $env:CONDA_ENV_NAME python=${{ matrix.python-version }} pip
conda create -n $env:CONDA_ENV_NAME python=${{ matrix.python-version }}
activate $env:CONDA_ENV_NAME
conda install -y -c conda-forge -c schrodinger `
libpng `
catch2=2.13.3 `
cxx-compiler `
collada2gltf `
freetype `
glew `
libxml2 `
catch2=2.13.3 `
glm `
libpng `
libxml2 `
libnetcdf `
collada2gltf `
libffi `
cxx-compiler
pip
conda info
- name: Get additional sources
Expand All @@ -113,68 +64,10 @@ jobs:
- name: Build PyMOL
run: |
activate $env:CONDA_ENV_NAME
pip install -v --config-settings testing=True .[dev]
python3 -m pip install -v .[dev]
- name: Test
run: |
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
2 changes: 2 additions & 0 deletions setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -811,6 +811,8 @@ 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)

champ_inc_dirs = ["contrib/champ"]
champ_inc_dirs.append(sysconfig.get_paths()["include"])
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