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Update ESPResSo dependencies
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jngrad committed May 3, 2024

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jngrad Jean-Noël Grad
1 parent a5428ce commit 0c8b319
Showing 3 changed files with 6 additions and 0 deletions.
1 change: 1 addition & 0 deletions docker/Dockerfile-fedora
Original file line number Diff line number Diff line change
@@ -13,6 +13,7 @@ RUN dnf -y install \
gdb \
git \
hdf5-mpich-devel \
jq \
lapack-devel \
make \
mpich-devel \
2 changes: 2 additions & 0 deletions docker/Dockerfile-ubuntu
Original file line number Diff line number Diff line change
@@ -50,6 +50,7 @@ RUN apt-get update && \
python3 \
python3-dev \
pylint \
python3-ase \
python3-coverage \
python3-dev \
python3-h5py \
@@ -60,6 +61,7 @@ RUN apt-get update && \
python3-nbconvert \
python3-numpy \
python3-numpydoc \
python3-pandas \
python3-pint \
python3-pip \
python3-packaging \
3 changes: 3 additions & 0 deletions docker/install-scafacos.sh
Original file line number Diff line number Diff line change
@@ -37,6 +37,9 @@ cd build
--prefix=/usr/local
make -j $(nproc)
make install
# remove GCC version-specific library path to avoid library version mismatch at
# link or runtime when a different GCC version was used to compile client code
sed -i -r 's| -L/usr/lib/gcc/x86_64-linux-gnu/[0-9]+ | |' /usr/local/lib/pkgconfig/scafacos.pc
cd
rm -r /tmp/scafacos
ldconfig

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