mirror of
https://github.com/PDB-REDO/dssp.git
synced 2026-06-04 13:44:21 +08:00
45 lines
1.3 KiB
Docker
45 lines
1.3 KiB
Docker
FROM ubuntu:20.04
|
|
|
|
ENV TZ="America/New_York"
|
|
RUN apt-get update && \
|
|
apt-get install -yq tzdata && \
|
|
ln -fs /usr/share/zoneinfo/America/New_York /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 --recurse-submodules && \
|
|
cd libcifpp && \
|
|
cmake -S . -B build -DCMAKE_INSTALL_PREFIX=/root/.local -DCMAKE_BUILD_TYPE=Release && \
|
|
cmake --build build && \
|
|
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 && \
|
|
mkdir build && \
|
|
cd build && \
|
|
cmake .. && \
|
|
cmake --build . && \
|
|
cmake --install . && \
|
|
echo "libmcfp installed"
|
|
|
|
# Build and install dssp
|
|
COPY . /src
|
|
RUN cd /src && \
|
|
mkdir build && \
|
|
cmake -S . -B build -DCMAKE_BUILD_TYPE=Release -DCMAKE_PREFIX_PATH=/root/.local/lib/cmake/cifpp/ && \
|
|
cmake --build build && \
|
|
cmake --install build && \
|
|
echo "dssp installed" && \
|
|
rm -rf /src /build
|
|
|
|
WORKDIR /data
|
|
ENTRYPOINT ["mkdssp"] |