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Bump all version requirements (espressomd#4905)
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Description of changes:
- migrate to Ubuntu 24.04, Debian 12, Fedora 40, macOS 13
   - update all Python package requirements accordingly
   - apply new formatting rules and add `# nopep8` on f-strings that break `autopep8`
   - apply new linter rules and remove rules with too many false positives
- bump version requirements of waLBerla and Caliper
- rewrite handling of CUDA-specific CMake variables to follow best practices
- enable compiler warnings on CUDA source files
- introduce a new CI tag `reuse-artifacts-same-arch` to guarantee that CI jobs that download ESPResSo binaries from a previous CI job will always execute on a host runner with the same CPU architecture (to mitigate an issue where ESPResSo built with architecture-specific compiler flags on AMD ends up running on an Intel CPU)
- fix malformed Python strings in matplotlib labels containing LaTeX math
   - Jupyter modules like `nbconvert` now raise warnings when strings contain e.g. `$\sigma$` instead of `$\\sigma$`
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kodiakhq[bot] authored Apr 24, 2024
2 parents 6437392 + 98c48b7 commit c1c3771
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3 changes: 2 additions & 1 deletion .clang-tidy
Original file line number Diff line number Diff line change
Expand Up @@ -10,6 +10,8 @@ Checks: |
-bugprone-implicit-widening-of-multiplication-result,
-bugprone-macro-parentheses,
-bugprone-reserved-identifier,
-bugprone-switch-missing-default-case,
-bugprone-unchecked-optional-access,
clang-analyzer-alpha.*,
modernize-deprecated-headers,
modernize-make-shared,
Expand Down Expand Up @@ -41,7 +43,6 @@ Checks: |
readability-function-size'
WarningsAsErrors: '*,-clang-analyzer-core.StackAddrEscapeBase,-clang-analyzer-optin.mpi.MPI-Checker'
HeaderFilterRegex: '.*'
AnalyzeTemporaryDtors: false
FormatStyle: none
User: espresso
CheckOptions:
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2 changes: 1 addition & 1 deletion .github/actions/build_and_check/action.yml
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Expand Up @@ -6,7 +6,7 @@ runs:
- run: |
brew install boost boost-mpi fftw
brew install hdf5-mpi
pip3 install -c requirements.txt numpy "cython<3.0" h5py scipy
pip3 install -c requirements.txt "cython<3.0" numpy scipy h5py packaging
shell: bash
if: runner.os == 'macOS'
- run: |
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14 changes: 7 additions & 7 deletions .github/workflows/push_pull.yml
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Expand Up @@ -9,7 +9,7 @@ permissions:

jobs:
macos:
runs-on: macos-12
runs-on: macos-13
if: ${{ github.repository == 'espressomd/espresso' }}
steps:
- name: Checkout
Expand All @@ -20,22 +20,22 @@ jobs:
key: macos
save: ${{ github.ref == 'refs/heads/python' }}
- name: Setup Python environment
uses: actions/setup-python@v4.3.1
uses: actions/setup-python@v5.1.0
with:
python-version: '3.9'
python-version: '3.12'
- name: Get runner specifications
run: system_profiler SPHardwareDataType
- name: Build and check
uses: ./.github/actions/build_and_check
env:
build_procs: 3
check_procs: 3
build_procs: 4
check_procs: 4
with_ccache: 'true'

debian:
runs-on: ubuntu-latest
container:
image: ghcr.io/espressomd/docker/debian:339903979196fd7e72127f2cb5bfb27759d129f9-base-layer
image: ghcr.io/espressomd/docker/debian:7843821c7cfe66dc8b718bb4041eba52adaa2df0-base-layer
credentials:
username: ${{ github.actor }}
password: ${{ secrets.github_token }}
Expand Down Expand Up @@ -74,7 +74,7 @@ jobs:
runs-on: ubuntu-latest
if: ${{ github.repository == 'espressomd/espresso' }}
container:
image: ghcr.io/espressomd/docker/ubuntu-wo-dependencies:339903979196fd7e72127f2cb5bfb27759d129f9-base-layer
image: ghcr.io/espressomd/docker/ubuntu-wo-dependencies:7843821c7cfe66dc8b718bb4041eba52adaa2df0-base-layer
credentials:
username: ${{ github.actor }}
password: ${{ secrets.github_token }}
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