Skip to content

Commit

Permalink
Removed julia sed patch in Dockefile as environment file has been upd…
Browse files Browse the repository at this point in the history
…ated
  • Loading branch information
calvinp0 committed Feb 11, 2024
1 parent d9149f5 commit 7455aca
Showing 1 changed file with 2 additions and 4 deletions.
6 changes: 2 additions & 4 deletions Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -13,7 +13,7 @@ RUN ln -snf /bin/bash /bin/sh
# - libxrender1 required by RDKit
RUN apt-get update && \
apt-get install -y \
make \
make \
gcc \
wget \
git \
Expand Down Expand Up @@ -43,8 +43,6 @@ RUN git clone --single-branch --branch main --depth 1 https://github.com/Reactio
git clone --single-branch --branch main --depth 1 https://github.com/ReactionMechanismGenerator/RMG-database.git

WORKDIR /rmg/RMG-Py
# patch the env file to a specific version of Julia that we know to be working on all platforms
RUN sed -i 's/ - conda-forge::julia>=1.8.5,!=1.9.0/ - conda-forge::julia=1.9.4/' environment.yml
# build the conda environment
RUN conda env create --file environment.yml && \
conda clean --all --yes
Expand All @@ -67,7 +65,7 @@ ENV PATH="$RUNNER_CWD/RMG-Py:$PATH"
ENV JULIA_CPU_TARGET="x86-64,haswell,skylake,broadwell,znver1,znver2,znver3,cascadelake,icelake-client,cooperlake,generic"
RUN make && \
julia -e 'using Pkg; Pkg.add(PackageSpec(name="PyCall",rev="master")); Pkg.add(PackageSpec(name="ReactionMechanismSimulator",rev="main")); using ReactionMechanismSimulator' && \
python -c "import julia; julia.install(); import diffeqpy; diffeqpy.install()"
python -c "import julia; julia.install(); import diffeqpy; diffeqpy.install()"

# RMG-Py should now be installed and ready - trigger precompilation and test run
RUN python-jl rmg.py examples/rmg/minimal/input.py
Expand Down

0 comments on commit 7455aca

Please sign in to comment.