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0976824 Nov 27, 2016
@rvianello @greglandrum
66 lines (53 sloc) 2.56 KB
FROM centos:centos6
RUN \
yum update -y && \
yum install wget -y && \
yum install tar -y && \
yum groupinstall "Development tools" -y
RUN useradd rdkit
USER rdkit
WORKDIR /home/rdkit
RUN wget http://repo.continuum.io/miniconda/Miniconda-latest-Linux-x86_64.sh
RUN /bin/bash ./Miniconda-latest-Linux-x86_64.sh -b -p /home/rdkit/miniconda
ENV PATH /home/rdkit/miniconda/bin:$PATH
RUN \
conda update conda --yes --quiet && \
conda install jinja2 conda-build anaconda-client --yes --quiet
RUN git clone https://github.com/rdkit/conda-rdkit
WORKDIR conda-rdkit
#RUN git checkout development
# on centos6 the max path length for a unix socket is 107 characters. this
# limit is exceeded when the postgresql build is located under the default
# filesystem path.
#
# with the current conda implementation (conda 4.2.13 - conda-build 2.0.10)
# the following $CONDA_BLD_PATH settings are sufficient to work around the
# problem.
#
# (as a side effect, packages will be found in /home/rdkit/bld/linux-64)
RUN mkdir /home/rdkit/bld
ENV CONDA_BLD_PATH /home/rdkit/bld
RUN \
conda build boost --quiet --no-anaconda-upload && \
conda build nox --quiet --no-anaconda-upload && \
conda build cairo_nox --quiet --no-anaconda-upload && \
conda build cairocffi --quiet --no-anaconda-upload && \
conda build eigen --quiet --no-anaconda-upload && \
conda build rdkit --quiet --no-anaconda-upload && \
conda build ncurses --quiet --no-anaconda-upload && \
conda build postgresql --quiet --no-anaconda-upload && \
conda build rdkit-postgresql --quiet --no-anaconda-upload && \
conda build postgresql95 --quiet --no-anaconda-upload && \
conda build rdkit-postgresql95 --quiet --no-anaconda-upload && \
CONDA_PY=35 conda build boost --quiet --no-anaconda-upload && \
CONDA_PY=35 conda build nox --quiet --no-anaconda-upload && \
CONDA_PY=35 conda build cairo_nox --quiet --no-anaconda-upload && \
CONDA_PY=35 conda build cairocffi --quiet --no-anaconda-upload && \
CONDA_PY=35 conda build eigen --quiet --no-anaconda-upload && \
CONDA_PY=35 conda build rdkit --quiet --no-anaconda-upload && \
CONDA_PY=35 conda build postgresql --quiet --no-anaconda-upload && \
CONDA_PY=35 conda build rdkit-postgresql --quiet --no-anaconda-upload && \
CONDA_PY=35 conda build postgresql95 --quiet --no-anaconda-upload && \
CONDA_PY=35 conda build rdkit-postgresql95 --quiet --no-anaconda-upload && \
CONDA_NPY=110 conda build rdkit --quiet --no-anaconda-upload && \
CONDA_PY=35 CONDA_NPY=110 conda build rdkit --quiet --no-anaconda-upload