Merge pull request #70 from ReactionMechanismGenerator/conda

Conda build, updated travis, scripts cleanup for RMG-database

Author: connie

.travis.yml

@@ -1,38 +1,34 @@
 language: python
+sudo: false
 python:
   - "2.7"
 virtualenv:
     system_site_packages: true
+env:
+  global:
+    - secure: "L2ja+ZnV83w4qG3E8FwTjm0D6IWNOnj5wuFOjYTwbzQP4OAgLAWBzCMtxzWy5sMxFLtRgkswBH1d5f5kg8Ab7GIyAMFgQwe8UFqMJ+N05QNszE1mJkAvJtv2XN7669XXQhTt5EXfHrCcGZaODVnI2CEA8GB5DxiHO2Lcqf/xvgE="
+addons:
+  apt:
+    packages:
+    - git
+
 before_install:
-  - sudo apt-get update -qq
-  - sudo apt-get install git build-essential gfortran python-dev liblapack-dev python-openbabel python-setuptools python-pip
-  # for database testing, we don't need the inchi libraries, so no need to build rdkit from source
-  - sudo apt-get install python-rdkit librdkit-dev librdkit1 rdkit-data
-  - sudo apt-get install -qq python-numpy python-scipy python-matplotlib
+  # Set up anaconda
+  - wget http://repo.continuum.io/miniconda/Miniconda-2.2.2-Linux-x86_64.sh -O miniconda.sh
+  - chmod +x miniconda.sh
+  - ./miniconda.sh -b
+  - export PATH=/home/travis/anaconda/bin:$PATH
+  # Update conda itself
+  - conda update --yes conda
   - cd ..
   # this is the RMG-database project, so need to fetch RMG-Py
   - git clone https://github.com/GreenGroup/RMG-Py.git
-  - git clone https://github.com/GreenGroup/PyDAS.git
-  - git clone https://github.com/GreenGroup/PyDQED.git
-install:
-  - cd $TRAVIS_BUILD_DIR
-  - cd ..
-  - cd RMG-Py
-  - pip install numpy
-  - pip install -r requirements.txt
-  - cd ..
-  - cd PyDAS
-  - cd daspk31
-  - wget http://www.engineering.ucsb.edu/~cse/Software/daspk31.tgz
-  - cd ..
-  - make F77=gfortran
-  - make install
-  - cd ..
-  - cd PyDQED
-  - make F77=gfortran
-  - make install
-  - cd ..
   - cd RMG-Py
-  - make noQM -j2
+
+install:
+  - conda env create
+  - source activate rmg
+  - make
+
 script:
-  - nosetests -v -d --nologcapture $TRAVIS_BUILD_DIR/../RMG-Py/databaseTest.py
+  - make test-database