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Fix electrostatics. #12

Fix electrostatics.

Fix electrostatics. #12

name: Coot CI Homebrew macOS
on:
push:
jobs:
build-coot-for-macos:
runs-on: macos-latest
steps:
- name: Which brew?
run: which brew
- name: Setup homebrew
id: setup-homebrew
uses: Homebrew/actions/setup-homebrew@master
- name: turn on brew analytics
run: brew analytics on
- name: brew update
run: |
brew update
brew upgrade
# I don't think that glfw is needed now (it is in the coot.rb file though)
- name: Install Coot dependencies in Homebrew
run: >
brew install boost boost-python3 brewsci/bio/clipper4coot
brewsci/bio/raster3d brewsci/bio/ssm brewsci/bio/gemmi
dwarfutils gsl rdkit pygobject3 gtk4 glm automake glfw
py3cairo pygobject3
- name: Get coot.rb file
# try this modified version for now:
run: wget https://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/files/coot.rb
# back to Yoshitaka Moriwaki version
# run: wget https://raw.githubusercontent.com/YoshitakaMo/homebrew-bio/coot/Formula/coot.rb
- name: Compile Homebrew coot HEAD
# don't stall waiting for user input to resolve the failed patch
run: NONINTERACTIVE=1 brew install ./coot.rb --HEAD || true > $HOME/brew.log >&2
- name: Upload brew log
uses: actions/upload-artifact@v4
with:
name: brew-log-package
path: /Users/runner/Library/Logs/Homebrew/coot
retention-days: 3
- name: ls the executable
run: ls -lt /opt/homebrew/bin
# 20240911 this has stopped working.
# - name: ls the install bin
# run: ls -lt /opt/homebrew/Cellar/coot/HEAD*/bin
# the homebrew build is still broken
# - name: Does it run?
# run: /opt/homebrew/bin/coot --no-graphics < /dev/null