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Yusuf Hamied Department of Chemistry
Hunter Group
SSIPtools
SSIMPLEapps
solventmapcreator
Commits
1167ca9e
Commit
1167ca9e
authored
7 years ago
by
M.D. Driver
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Initial Bitbucket Pipelines configuration
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# This is a sample build configuration for Python.
# Check our guides at https://confluence.atlassian.com/x/x4UWN for more examples.
# Only use spaces to indent your .yml configuration.
# -----
# You can specify a custom docker image from Docker Hub as your build environment.
image
:
continuumio/anaconda:latest
pipelines
:
default
:
-
step
:
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
-
source activate resultsanalysis
-
conda install -c rdkit rdkit=2017.03.1
-
cd ../
-
git clone https://mdd31@bitbucket.org/mdd31/resultsanalysis.git
-
pip install .
-
cd ../solventmapcreator
-
pip install .
-
cd test/
-
python
\ No newline at end of file
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