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tsoc
openmm
Commits
b93b7b2d
Commit
b93b7b2d
authored
Jan 29, 2014
by
peastman
Browse files
Merge pull request #296 from pgrinaway/master
[WIP] Travis CI yml
parents
5ddfc6cd
ad2c504f
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b93b7b2d
language
:
cpp
compiler
:
-
clang
before_install
:
-
sudo apt-get update
-
sudo apt-get install libpcre3 libpcre3-dev
-
sudo apt-get install swig
-
sudo apt-get install doxygen
-
sudo apt-get install python-numpy
-
sudo apt-get install python-scipy
-
sudo apt-get install python-nose
script
:
-
cmake -DCMAKE_INSTALL_PREFIX=~/OpenMM .
-
make
-
make test
-
make install
-
ls ~/OpenMM/include
-
export LD_LIBRARY_PATH=~/OpenMM/lib/
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export OPENMM_LIB_PATH=~/OpenMM/lib/
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export OPENMM_INCLUDE_PATH=~/OpenMM/include/
-
cd python
-
sudo -E python setup.py install
-
cd tests
-
nosetests
# - python TestAmberPrmtopFile.py
# - python TestDesmondDMSFile.py
# - python TestForceField.py
# - python TestGromacsTopFile.py
# - python TestModeller.py
# - python TestNumpyCompatibility.py
# - python validateConstraints.py
# - python validateConstraints.pyc
# - python validateModeller.py
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