File size: 1,332 Bytes
5f4cece | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 | FROM ubuntu:22.04
ENV TZ="Europe/Amsterdam"
RUN apt-get update && \
apt-get install -yq tzdata && \
ln -fs /usr/share/zoneinfo/Europe/Amsterdam /etc/localtime && \
dpkg-reconfigure -f noninteractive tzdata && \
apt install -y build-essential cmake zlib1g-dev git libeigen3-dev
WORKDIR /build
# Build and install libcifpp
# https://github.com/PDB-REDO/libcifpp
RUN cd /build && \
git clone https://github.com/PDB-REDO/libcifpp.git && \
cd libcifpp && \
cmake -S . -B build -DCMAKE_BUILD_TYPE=Release \
-DBUILD_TESTING=OFF -DCIFPP_DOWNLOAD_CCD=OFF && \
cmake --build build -j $(nproc) && \
cmake --install build && \
echo "libcifpp installed"
# Build and install libmcfp
# https://github.com/mhekkel/libmcfp
RUN cd /build && \
git clone https://github.com/mhekkel/libmcfp.git && \
cd libmcfp && \
cmake -S . -B build -DBUILD_TESTING=OFF && \
cmake --build build -j $(nproc) && \
cmake --install build && \
echo "libmcfp installed"
# Build and install dssp
COPY . /src
RUN cd /src && \
rm -rf build && \
mkdir build && \
cmake -S . -B build -DCMAKE_BUILD_TYPE=Release -DBUILD_TESTING=OFF && \
cmake --build build -j $(nproc) && \
cmake --install build && \
echo "dssp installed" && \
rm -rf /src /build
WORKDIR /data
ENTRYPOINT ["mkdssp"] |