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Fixes #182

Changes made in this Pull Request:

PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

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codecov-commenter commented Feb 18, 2025

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 87.53%. Comparing base (5b4b1d4) to head (46a2ccb).

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Hmm ... even though cmake 4.0.0 was installed

Run # from https://docs.dgl.ai/en/latest/install/index.html#macos
  # from https://docs.dgl.ai/en/latest/install/index.html#macos
  cd dgl/
  mkdir build && cd build
  cmake -DUSE_OPENMP=off -DUSE_LIBXSMM=OFF ..
  make -j4
  cd ../..
  shell: /bin/bash -l {0}
  env:
    OE_LICENSE: /Users/runner/work/openff-nagl/openff-nagl/oe_license.txt
    DGL_HOME: /Users/runner/work/openff-nagl/openff-nagl/dgl
    MAMBA_ROOT_PREFIX: /Users/runner/micromamba
    MAMBA_EXE: /Users/runner/micromamba-bin/micromamba
    CONDARC: /Users/runner/work/_temp/setup-micromamba/.condarc
-- The C compiler identification is AppleClang 15.0.0.15000100
-- The CXX compiler identification is AppleClang 15.0.0.15000100
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /usr/bin/cc - skipped
-- Detecting C compile features
-- Detecting C compile features - done
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/c++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Start configuring project dgl
-- Build for dev
-- Looking for sys/epoll.h
CMake Warning at CMakeLists.txt:[2](https://github.com/openforcefield/openff-nagl/actions/runs/14173144487/job/39701457568#step:7:2)56 (message):
-- Looking for sys/epoll.h - not found
  EPOLL is not available on this platform...


-- Conda environment detected: /Users/runner/micromamba/envs/openff-nagl-test
CMake Error at third_party/dmlc-core/CMakeLists.txt:1 (cmake_minimum_required):
  Compatibility with CMake < [3](https://github.com/openforcefield/openff-nagl/actions/runs/14173144487/job/39701457568#step:7:3).5 has been removed from CMake.

  Update the VERSION argument <min> value.  Or, use the <min>...<max> syntax
  to tell CMake that the project requires at least <min> but has been updated
  to work with policies introduced by <max> or earlier.

  Or, add -DCMAKE_POLICY_VERSION_MINIMUM=3.[5](https://github.com/openforcefield/openff-nagl/actions/runs/14173144487/job/39701457568#step:7:5) to try configuring anyway.


-- Configuring incomplete, errors occurred!
make: *** No targets specified and no makefile found.  Stop.

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Nightly CI should install nightly Pytorch?

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