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Amber-MD / pytraj

Python interface of cpptraj
https://amber-md.github.io/pytraj
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Add one more thing for CMake build system #1412

Closed multiplemonomials closed 7 years ago

multiplemonomials commented 7 years ago

It turns out I missed something when I manually merged my changes to base_setup.py. I still need to add a block that will use the environment compilers if AMBERHOME is not defined.

hainm commented 7 years ago

is it standalone yet? If yes, you should add the testing here: https://github.com/Amber-MD/pytraj/blob/master/.travis.yml

multiplemonomials commented 7 years ago

No, it's not standalone yet. I didn't think that there was any point in making the pytraj one standalone because it's just a CMake wrapper around your setup.py. Do you want me to make it standalone? I'm happy to, if you want.

hainm commented 7 years ago

No, it's not necessary. Just because I read your comment elsewhere

https://github.com/Amber-MD/cpptraj/pull/519#issuecomment-317220770

hainm commented 7 years ago

The build fails because the newest cython (0.26) is installed and it has bug. https://groups.google.com/forum/m/#!topic/cython-users/tQlwfcpdf0k

Can you force to use cython 0.25? Thanks.

multiplemonomials commented 7 years ago

you mean that you want me to make the CMake build system reject Cython 0.26?

hainm commented 7 years ago

https://github.com/Amber-MD/pytraj/blob/master/devtools/ci/setup_env.sh#L17

change to

conda install --yes conda-build jinja2 anaconda-client pip cython=0.25 numpy
hainm commented 7 years ago

uhm, sorry, should be this line: https://github.com/Amber-MD/pytraj/blob/43793d76d1f3b93f233d16fbe91114d626f678d0/devtools/ci/setup_env.sh#L24

hainm commented 7 years ago

fixed. Happy merging. thanks.

multiplemonomials commented 7 years ago

great!