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2 changes: 1 addition & 1 deletion Dockerfile-base
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
#############
### base ###
#############
FROM python:3.9-slim-buster
FROM python:3.11-slim-buster

LABEL \
org.opencontainers.image.title="BioSimulators-base" \
Expand All @@ -16,14 +16,14 @@

###################################
# update apt package database
RUN apt-get update -y

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###################################
# AMICI
RUN apt-get install --no-install-recommends -y \
g++ \
libatlas-base-dev \
swig

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###################################
# BioNetGen
Expand All @@ -34,9 +34,9 @@
wget \
\
&& cd /tmp \
&& wget https://github.com/RuleWorld/bionetgen/releases/download/BioNetGen-${BIONETGEN_VERSION}/BioNetGen-${BIONETGEN_VERSION}-linux.tgz \

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&& tar xvvf BioNetGen-${BIONETGEN_VERSION}-linux.tgz \

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&& mv BioNetGen-${BIONETGEN_VERSION}/ /opt/ \

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\
&& rm BioNetGen-${BIONETGEN_VERSION}-linux.tgz
ENV PATH=${PATH}:/opt/BioNetGen-${BIONETGEN_VERSION}/
Expand All @@ -44,18 +44,18 @@
###################################
# BoolNet
ARG BOOLNET_VERSION=2.1.5
RUN apt-get install -y --no-install-recommends \
r-base \
build-essential \
gcc \
gfortran \
libblas-dev \
libcurl4-openssl-dev \
libgit2-dev \
liblapack-dev \
libssl-dev \
libxml2 \
libxml2-dev \

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\
&& Rscript \
-e "install.packages('devtools')" \
Expand All @@ -65,22 +65,22 @@

###################################
# CBMPy
RUN apt-get install -y --no-install-recommends \
gcc \
libglpk-dev

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###################################
# COBRAPY
RUN mkdir -p /.cache/cobrapy \
&& chmod ugo+rw /.cache/cobrapy

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###################################
# COPASI

###################################
# GillesPy2
RUN apt-get install -y --no-install-recommends \
build-essential

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###################################
# GINsim
Expand All @@ -90,8 +90,8 @@
wget \
\
&& cd /tmp \
&& pip install ginsim \

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&& wget https://raw.githubusercontent.com/GINsim/GINsim-python/master/ginsim_setup.py \

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&& python ginsim_setup.py \
\
&& rm ginsim_setup.py
Expand All @@ -102,30 +102,30 @@
ARG LIBSBML_VERSION=5.19.0

# libSBML
RUN apt-get install --no-install-recommends -y \
wget \
libxml2 \

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\
&& wget https://master.dl.sourceforge.net/project/sbml/libsbml/${LIBSBML_VERSION}/stable/Linux/64-bit/libSBML-${LIBSBML_VERSION}-Linux-x64.deb \

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&& dpkg -i libSBML-${LIBSBML_VERSION}-Linux-x64.deb \

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\
&& rm libSBML-${LIBSBML_VERSION}-Linux-x64.deb
ENV LD_LIBRARY_PATH=/usr/lib64:$LD_LIBRARY_PATH

# LibSBMLSim
RUN apt-get install --no-install-recommends -y \
wget \
build-essential \
cmake \
swig \
libbz2-dev \

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\
&& PY_EXEC_PATH=$(which python) \
&& PY_PREFIX=$(echo ${PY_EXEC_PATH} | rev | cut -d "/" -f 3- | rev) \

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&& cd /tmp \
&& wget https://github.com/libsbmlsim/libsbmlsim/archive/refs/tags/v${LSBMLSIM_VERSION}.tar.gz \

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&& tar xvvf v${LSBMLSIM_VERSION}.tar.gz \
&& cd libsbmlsim-${LSBMLSIM_VERSION} \

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&& mkdir build \
&& cd build \
&& PYTHON_MAJOR_MINOR_VERSION=$(echo $PYTHON_VERSION | cut -d . -f 1-2) \
Expand All @@ -134,8 +134,8 @@
-D LIBSBML_LIBRARY=/usr/lib64/libsbml.so \
-D WITH_PYTHON=ON \
-D PYTHON_PREFIX=${PY_PREFIX} \
-D PYTHON_EXECUTABLE:FILEPATH=${PY_EXEC_PATH} \

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-D PYTHON_INCLUDE_DIR:PATH=/usr/local/include/python${PYTHON_MAJOR_MINOR_VERSION} \

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-D PYTHON_LIBRARY:FILEPATH=/usr/local/lib/libpython${PYTHON_MAJOR_MINOR_VERSION}.so \
.. \
\
Expand All @@ -143,39 +143,39 @@
&& make install \
\
&& cd /tmp \
&& rm v${LSBMLSIM_VERSION}.tar.gz \

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&& rm -r libsbmlsim-${LSBMLSIM_VERSION}

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###################################
# MASSpy
RUN apt-get install -y --no-install-recommends \
git \
gcc \
build-essential \
libfreetype6-dev \
libfreetype6 \
pkg-config \

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\
&& mkdir -p /.cache/cobrapy

###################################
# NetPyNe
RUN apt-get install -y --no-install-recommends \
gcc \
g++ \
make \
libmpich-dev \
mpi \
mpi-default-bin \
mpich

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###################################
# NEURON
RUN apt-get install -y --no-install-recommends \
gcc \
g++ \
make

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RUN pip install neuron

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ENV NEURON_HOME=/usr/local

###################################
Expand All @@ -190,16 +190,16 @@
# SUNDIALS
# ignore certificate checking because certificate was expired as of 2021-11-10
ARG SUNDIALS_VERSION=2.6.2
RUN apt-get install -y --no-install-recommends \
wget \
cmake \
make \
g++ \

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\
&& cd /tmp \
&& wget --no-check-certificate https://computing.llnl.gov/sites/default/files/inline-files/sundials-${SUNDIALS_VERSION}.tar.gz \

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&& tar xvvf sundials-${SUNDIALS_VERSION}.tar.gz \
&& cd sundials-${SUNDIALS_VERSION} \

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&& mkdir build \
&& cd build \
&& cmake .. \
Expand All @@ -207,24 +207,24 @@
&& make install \
\
&& cd /tmp \
&& rm sundials-${SUNDIALS_VERSION}.tar.gz \

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&& rm -r sundials-${SUNDIALS_VERSION}
ENV LD_LIBRARY_PATH=/usr/local/lib:$LD_LIBRARY_PATH

# Assimulo
RUN apt-get install -y --no-install-recommends \
g++ \
gfortran \
libblas-dev \
liblapack-dev \
git

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# PySCeS
RUN apt-get install -y --no-install-recommends \
git \
gcc \
gfortran \
libgfortran5

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# Configure PySCeS
COPY .pys_usercfg.ini /Pysces/.pys_usercfg.ini
Expand All @@ -237,9 +237,9 @@

###################################
# RBApy
RUN apt-get install -y --no-install-recommends \
gcc \
libglpk-dev

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###################################
# Smoldyn
Expand All @@ -254,17 +254,17 @@

###################################
# XPP
RUN apt-get install -y --no-install-recommends \
wget \
make \
gcc \
libx11-dev \
libc6-dev \
libx11-6 \
libc6 \

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\
&& cd /tmp \
&& wget http://www.math.pitt.edu/~bard/bardware/xppaut_latest.tar.gz \

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&& mkdir xpp \
&& tar zxvf xppaut_latest.tar.gz --directory xpp \
&& cd xpp \
Expand All @@ -282,7 +282,7 @@
&& apt-get install --no-install-recommends -y \
xvfb \
&& mkdir /tmp/.X11-unix \
&& chmod 1777 /tmp/.X11-unix \

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\
&& rm -rf /var/lib/apt/lists/*
COPY xvfb-startup.sh /xvfb-startup.sh
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# configure matplotlib cache and config to avoid warnings
RUN mkdir -p /.cache/matplotlib \
&& mkdir -p /.config/matplotlib \
&& chmod ugo+rw /.config/matplotlib \

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&& chmod ugo+rw /.cache/matplotlib

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# Configure default simulator options
ENV ALGORITHM_SUBSTITUTION_POLICY=SIMILAR_VARIABLES \
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