update to use new environment.yml to create environment.

bitbucket-pipelines.yml

@@ -11,11 +11,8 @@ pipelines:
         script: # Modify the commands below to build your repository.
           - apt-get -y install libgl1-mesa-glx
           - conda update conda
-          - conda create --name resultsanalysis python=3.6 numpy scipy matplotlib lxml spyder
+          - conda env create -y -f environment.yml
           - source activate resultsanalysis
-          - conda install -c rdkit rdkit=2017.03.1
-          - pwd
-          - ls
           - cd ../
           - git clone git@bitbucket.org:mdd31/resultsanalysis.git
           - ls
@@ -25,4 +22,4 @@ pipelines:
           - pip install .
           - cd solventmapcreator/test/
           - chmod u+x solvationmapcreatortests.py
-          - ./solvationmapcreatortests.py
\ No newline at end of file
+          - ./solvationmapcreatortests.py

environment.yml

+name: resultsanalysis
+dependencies:
+- alabaster=0.7.10=py36_0
+- astroid=1.4.9=py36_0
+- babel=2.4.0=py36_0
+- bleach=1.5.0=py36_0
+- boost=1.56.0=py36_3
+- bzip2=1.0.6=3
+- ca-certificates=2018.1.18=0
+- cairo=1.14.8=0
+- chardet=3.0.3=py36_0
+- cycler=0.10.0=py36_0
+- dbus=1.10.10=0
+- decorator=4.0.11=py36_0
+- docutils=0.13.1=py36_0
+- entrypoints=0.2.2=py36_1
+- expat=2.1.0=0
+- fontconfig=2.12.1=3
+- freetype=2.5.5=2
+- glib=2.50.2=1
+- gst-plugins-base=1.8.0=0
+- gstreamer=1.8.0=0
+- html5lib=0.999=py36_0
+- icu=54.1=0
+- imagesize=0.7.1=py36_0
+- ipykernel=4.6.1=py36_0
+- ipython=6.1.0=py36_0
+- ipython_genutils=0.2.0=py36_0
+- isort=4.2.9=py36_0
+- jedi=0.10.2=py36_2
+- jinja2=2.9.6=py36_0
+- jpeg=9b=0
+- jsonschema=2.6.0=py36_0
+- jupyter_client=5.0.1=py36_0
+- jupyter_core=4.3.0=py36_0
+- lazy-object-proxy=1.2.2=py36_0
+- libffi=3.2.1=1
+- libgcc=5.2.0=0
+- libgfortran=3.0.0=1
+- libiconv=1.14=0
+- libpng=1.6.27=0
+- libsodium=1.0.10=0
+- libxcb=1.12=1
+- libxml2=2.9.4=0
+- libxslt=1.1.29=0
+- lxml=3.7.3=py36_0
+- markupsafe=0.23=py36_2
+- matplotlib=2.0.2=np111py36_0
+- mistune=0.7.4=py36_0
+- mkl=2017.0.1=0
+- nbconvert=5.2.1=py36_0
+- nbformat=4.3.0=py36_0
+- ncurses=5.9=10
+- numpy=1.11.3=py36_0
+- numpydoc=0.6.0=py36_0
+- openssl=1.0.2l=0
+- pandocfilters=1.4.1=py36_0
+- path.py=10.3.1=py36_0
+- pcre=8.39=1
+- pep8=1.7.0=py36_0
+- pexpect=4.2.1=py36_0
+- pickleshare=0.7.4=py36_0
+- pip=9.0.1=py36_1
+- pixman=0.34.0=0
+- prompt_toolkit=1.0.14=py36_0
+- psutil=5.2.2=py36_0
+- ptyprocess=0.5.1=py36_0
+- pycodestyle=2.3.1=py36_0
+- pyflakes=1.5.0=py36_0
+- pygments=2.2.0=py36_0
+- pylint=1.6.4=py36_1
+- pyparsing=2.1.4=py36_0
+- pyqt=5.6.0=py36_2
+- python=3.6.5=0
+- python-dateutil=2.6.0=py36_0
+- pytz=2017.2=py36_0
+- pyzmq=16.0.2=py36_0
+- qt=5.6.2=4
+- qtawesome=0.4.4=py36_0
+- qtconsole=4.3.0=py36_0
+- qtpy=1.2.1=py36_0
+- rdkit=2017.03.1=np111py36_1
+- readline=7.0=0
+- requests=2.14.2=py36_0
+- rope=0.9.4=py36_1
+- scipy=0.19.0=np111py36_0
+- setuptools=27.2.0=py36_0
+- simplegeneric=0.8.1=py36_1
+- sip=4.18=py36_0
+- six=1.10.0=py36_0
+- snowballstemmer=1.2.1=py36_0
+- sphinx=1.5.6=py36_0
+- spyder=3.2.3=py36_0
+- sqlite=3.20.1=0
+- svgutils=0.3.0=py36_0
+- testpath=0.3.1=py36_0
+- tk=8.6.6=0
+- tornado=4.5.1=py36_0
+- traitlets=4.3.2=py36_0
+- wcwidth=0.1.7=py36_0
+- wheel=0.29.0=py36_0
+- wrapt=1.10.10=py36_0
+- xz=5.2.2=1
+- zeromq=4.1.5=0
+- zlib=1.2.11=0
+- pip:
+  - ipython-genutils==0.2.0
+  - jupyter-client==5.0.1
+  - jupyter-core==4.3.0
+  - prompt-toolkit==1.0.14
+  - rope-py3k==0.9.4.post1
+