Build AmberTools with conda and docker. This is beta version.
- Update AmberTools version
# change v16 to v17
python scripts/update_ambertools_version.py 16 17-
centos:5 derived image is used.
-
Proposed usage
conda install -c http://ambermd.org/conda/ ambertools=16
# current working version with python=3.5
conda install -c hainm ambertools=16
# search
anaconda search ambertools-
How to build
- Make a git commit to this repo. Circleci (and travis) will do the rest. Built packages can retrieved from below url:
https://circleci.com/gh/Amber-MD/ambertools-conda-build/{build_number}#artifacts/containers/0 Note: Need to replace {build_number} by the commit number e.g: https://circleci.com/gh/Amber-MD/ambertools-conda-build/153#artifacts/containers/0- Or: build locally
- by docker container
# update build.sh if needed sh build.sh- by conda
conda build recipe
-
How continuous integration services are being used?
- travis : test building ambermini, full ambertools with GNU compiler, not use docker.
- circleci: test building ambermini with our ('ambermd/amber-build-box') docker image.
- Why? just for testing