From af9c0bfd776aff3078ab1d9f73a22ca1c19c1245 Mon Sep 17 00:00:00 2001 From: "M. Eric Irrgang" Date: Fri, 25 Jun 2021 12:50:35 +0300 Subject: [PATCH] Fix python_packaging Dockerfiles. * Don't try to copy a directory that was removed in a recent commit. * Add CMake option to install needed headers. * Reduce image size. --- python_packaging/docker/ci.dockerfile | 1 - python_packaging/docker/gromacs.dockerfile | 8 +++++--- 2 files changed, 5 insertions(+), 4 deletions(-) diff --git a/python_packaging/docker/ci.dockerfile b/python_packaging/docker/ci.dockerfile index 42b0d7f0f8..36fe02c7f6 100644 --- a/python_packaging/docker/ci.dockerfile +++ b/python_packaging/docker/ci.dockerfile @@ -73,7 +73,6 @@ RUN . $VENV/bin/activate && \ ADD --chown=testing:testing src/test /home/testing/gmxapi/test ADD scripts /docker_entry_points -ADD --chown=testing:testing test /home/testing/test ADD --chown=testing:testing sample_restraint /home/testing/sample_restraint diff --git a/python_packaging/docker/gromacs.dockerfile b/python_packaging/docker/gromacs.dockerfile index 4a3052e4c5..5832f3e28c 100644 --- a/python_packaging/docker/gromacs.dockerfile +++ b/python_packaging/docker/gromacs.dockerfile @@ -12,7 +12,7 @@ ARG MPIFLAVOR=mpich ARG REF=latest -FROM gmxapi/gromacs-dependencies-$MPIFLAVOR:$REF +FROM gmxapi/gromacs-dependencies-$MPIFLAVOR:$REF as build ENV SRC_DIR /tmp/gromacs-source COPY . $SRC_DIR @@ -31,10 +31,12 @@ RUN cmake $SRC_DIR \ -DGMX_BUILD_HELP=OFF \ -DGMX_USE_RDTSCP=OFF \ -DGMX_REQUIRE_VALID_TOOLCHAIN=TRUE \ + -DGMX_INSTALL_LEGACY_API=ON \ -DCMAKE_BUILD_TYPE=$TYPE RUN make -j$DOCKER_CORES RUN make -j$DOCKER_CORES tests RUN make -j$DOCKER_CORES install -# Default command provided for convenience since it inherits WORKDIR from above. -CMD make check +FROM gmxapi/gromacs-dependencies-$MPIFLAVOR:$REF + +COPY --from=build /usr/local/gromacs /usr/local/gromacs -- 2.22.0