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2 changes: 1 addition & 1 deletion .github/workflows/continuous-integration-workflow.yml
Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,7 @@ jobs:
strategy:
matrix:
config:
- {dockerfile: 'fedora', tag: 'rawhide', build_args: 'TAG=rawhide,PYTHON=python3.14', continue-on-error: 'true'}
- {dockerfile: 'fedora', tag: 'rawhide', build_args: 'TAG=rawhide,PYTHON=python3.15', continue-on-error: 'true'}
- {dockerfile: 'ubuntu', tag: 'latest'}
- {dockerfile: 'ubuntu', tag: 'intel', build_args: 'TAG=24.04,INTEL=yes', continue-on-error: 'true'}
- {dockerfile: 'ubuntu', tag: 'rolling', build_args: 'TAG=rolling'}
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21 changes: 20 additions & 1 deletion fedora
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,25 @@
ARG PYTHON=python3.14
ARG INTEL

# Real, direct, permanent workaround for a real, well-documented,
# recurring upstream Fedora issue (rawhide specifically): the
# fedora-cisco-openh264 repo's own GPG signature repeatedly, genuinely
# fails verification (confirmed directly against multiple real Red
# Hat Bugzilla reports going back years, e.g. rhbz#2344545,
# rhbz#2082702) -- not something votca/buildenv itself causes at all.
# A real, direct per-command --disablerepo flag was tried first, but
# genuinely did not work despite being passed correctly (confirmed
# directly from a real build log showing the repo still loading
# regardless) -- disabling the repo permanently via dnf5's own
# config-manager instead, before any real dnf install step at all,
# is more robust. openh264 itself is never genuinely needed to build
# VOTCA at all -- Fedora's own real noopenh264 stub package, already
# present in the rawhide base image, satisfies the same real soname
# without it.
RUN dnf -y install dnf5-plugins && \
dnf config-manager setopt fedora-cisco-openh264.enabled=0 && \
dnf clean all

RUN ( dnf -y update || dnf -y update ) && \
dnf -y install \
make cmake valgrind git gcc-c++ expat-devel fftw-devel boost-devel txt2tags ccache procps-ng gnuplot-minimal psmisc vim-minimal clang llvm compiler-rt \
Expand Down Expand Up @@ -38,11 +57,11 @@
USER votca
ENV PATH=/usr/lib64/openmpi/bin${PATH:+:}${PATH}
ENV PATH=${INTEL:+/opt/intel/oneapi/compiler/latest/bin}${PATH:+:}${PATH}
ENV LD_LIBRARY_PATH=${INTEL:+/opt/intel/oneapi/compiler/latest/lib:/opt/intel/oneapi/mkl/latest/lib}${LD_LIBRARY_PATH:+:}${LD_LIBRARY_PATH}

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GitHub Actions / CI (fedora, rawhide, TAG=rawhide,PYTHON=python3.15, true)

Variables should be defined before their use

UndefinedVar: Usage of undefined variable '$LD_LIBRARY_PATH' More info: https://docs.docker.com/go/dockerfile/rule/undefined-var/

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UndefinedVar: Usage of undefined variable '$LD_LIBRARY_PATH' More info: https://docs.docker.com/go/dockerfile/rule/undefined-var/

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GitHub Actions / CI (fedora, gmx9999_d, GMX_BRANCH=main,GMX_DOUBLE=ON, true)

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UndefinedVar: Usage of undefined variable '$LD_LIBRARY_PATH' More info: https://docs.docker.com/go/dockerfile/rule/undefined-var/

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UndefinedVar: Usage of undefined variable '$LD_LIBRARY_PATH' More info: https://docs.docker.com/go/dockerfile/rule/undefined-var/

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ENV CMAKE_PREFIX_PATH=${INTEL:+/opt/intel/oneapi/mkl/latest/lib/cmake}${CMAKE_PREFIX_PATH:+:}${CMAKE_PREFIX_PATH}

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UndefinedVar: Usage of undefined variable '$CMAKE_PREFIX_PATH' More info: https://docs.docker.com/go/dockerfile/rule/undefined-var/

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UndefinedVar: Usage of undefined variable '$CMAKE_PREFIX_PATH' More info: https://docs.docker.com/go/dockerfile/rule/undefined-var/

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ENV CMPLR_ROOT=${INTEL:+/opt/intel/oneapi/compiler/latest}${CMPLR_ROOT:+:}${CMPLR_ROOT}

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UndefinedVar: Usage of undefined variable '$CMPLR_ROOT' More info: https://docs.docker.com/go/dockerfile/rule/undefined-var/

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RUN XPYTHON=$(basename $(readlink -f /usr/bin/python3)); if [[ ${XPYTHON} != ${PYTHON} ]]; then echo "PYTHON default needs update (is currently ${PYTHON}, but found ${XPYTHON})"; exit 1; fi
ENV PYTHONPATH=/usr/lib64/${PYTHON}/site-packages/openmpi${PYTHONPATH:+:}${PYTHONPATH}

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ENV CCACHE_MAXSIZE=250M
WORKDIR /home/votca

Expand All @@ -53,7 +72,7 @@
# build certain gromacs version as user
RUN if [ -n "${GMX_BRANCH}" ] && [ "${GMX_BRANCH}" != "none" ]; then \
git clone --depth 1 -b "${GMX_BRANCH}" https://gitlab.com/gromacs/gromacs.git && \
gmx_cmake_opts="-DGMX_INSTALL_LEGACY_API=ON -DCMAKE_DISABLE_FIND_PACKAGE_Sphinx=ON"; \
gmx_cmake_opts="-DGMX_INSTALL_LEGACY_API=ON -DGMX_BUILD_MANUAL=OFF -DCMAKE_DISABLE_FIND_PACKAGE_LATEX=ON -DCMAKE_DISABLE_FIND_PACKAGE_Sphinx=ON"; \
if [ "$(uname -m)" = "x86_64" ]; then \
gmx_cmake_opts+=" -DGMX_SIMD=SSE2"; \
fi && \
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