From d09650e35b9e30ba66a943452b09632d7ea36f92 Mon Sep 17 00:00:00 2001 From: "Joshua A. Anderson" Date: Tue, 18 Jun 2024 15:38:35 -0400 Subject: [PATCH] Attempt to build and test with CUDA. --- .github/workflows/build_and_test.yaml | 10 + .../workflows/environments/environment.yaml | 1 + .../environments/py310-none-conda-lock.yml | 287 ++- .../environments/py311-none-conda-lock.yml | 284 +-- .../environments/py312-cuda125-conda-lock.yml | 1788 +++++++++++++++++ .../environments/py312-none-conda-lock.yml | 30 +- .../environments/py39-none-conda-lock.yml | 287 ++- .../environments/update-lockfiles.sh | 18 +- .github/workflows/test.yaml | 8 +- 9 files changed, 2259 insertions(+), 454 deletions(-) create mode 100644 .github/workflows/environments/py312-cuda125-conda-lock.yml diff --git a/.github/workflows/build_and_test.yaml b/.github/workflows/build_and_test.yaml index c771ff01b9..bde9515934 100644 --- a/.github/workflows/build_and_test.yaml +++ b/.github/workflows/build_and_test.yaml @@ -82,6 +82,15 @@ jobs: *) echo "Unknown compiler" && exit 1;; esac + elif [[ "${{ inputs.compiler_family }}" == "cuda" ]] + then + echo "cuda=cuda${{ inputs.compiler_version }}" >> "$GITHUB_OUTPUT" + case "${{ inputs.compiler_version }}" in + 125) + echo "image=glotzerlab/ci:ubuntu-24.04" >> "$GITHUB_OUTPUT";; + *) + echo "Unknown compiler" && exit 1;; + esac else echo "Invalid compiler family" exit 1 @@ -120,6 +129,7 @@ jobs: echo "CMAKE_PREFIX_PATH=$HOME/micromamba/envs/test" >> $GITHUB_ENV - name: Set compiler + if: ${{ inputs.compiler_family != 'cuda' }} run: | echo "CC=${{ inputs.compiler_family == 'gcc' && 'gcc' || 'clang' }}-${{ inputs.compiler_version }}" >> "$GITHUB_ENV" echo "CXX=${{ inputs.compiler_family == 'gcc' && 'g++' || 'clang++' }}-${{ inputs.compiler_version }}" >> "$GITHUB_ENV" diff --git a/.github/workflows/environments/environment.yaml b/.github/workflows/environments/environment.yaml index 7749644340..9c7fa5bfc4 100644 --- a/.github/workflows/environments/environment.yaml +++ b/.github/workflows/environments/environment.yaml @@ -13,6 +13,7 @@ dependencies: - openmpi - pybind11 - pytest +- python==3.12 - rowan - sybil - tbb diff --git a/.github/workflows/environments/py310-none-conda-lock.yml b/.github/workflows/environments/py310-none-conda-lock.yml index 3795542469..1ed6083cfe 100644 --- a/.github/workflows/environments/py310-none-conda-lock.yml +++ b/.github/workflows/environments/py310-none-conda-lock.yml @@ -13,9 +13,9 @@ version: 1 metadata: content_hash: - 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name: cmake - version: 3.29.5 + version: 3.29.6 manager: conda platform: osx-64 dependencies: @@ -296,14 +296,14 @@ package: rhash: '>=1.4.4,<2.0a0' xz: '>=5.2.6,<6.0a0' zstd: '>=1.5.6,<1.6.0a0' - url: https://conda.anaconda.org/conda-forge/osx-64/cmake-3.29.5-h749d262_0.conda + url: https://conda.anaconda.org/conda-forge/osx-64/cmake-3.29.6-h749d262_0.conda hash: - md5: 332d300f667536dd127e98b9c178c87d - sha256: 3f85b92a116e1ad43cbda27794ea1f18f92f2b930dcbcabc5b46318ec2eb6e04 + md5: 55f284f7cff98aea95fc9d0a2cc9dc33 + sha256: 68c21e255259ae400adde74058adbaebc90f8f7b8cdf903017ea71b9ca65b2ce category: main optional: false - name: cmake - version: 3.29.5 + version: 3.29.6 manager: conda platform: osx-arm64 dependencies: @@ -318,10 +318,10 @@ package: rhash: '>=1.4.4,<2.0a0' xz: '>=5.2.6,<6.0a0' zstd: '>=1.5.6,<1.6.0a0' - url: https://conda.anaconda.org/conda-forge/osx-arm64/cmake-3.29.5-had79d8f_0.conda + url: https://conda.anaconda.org/conda-forge/osx-arm64/cmake-3.29.6-had79d8f_0.conda hash: - 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DO NOT EDIT! +# +# A "lock file" contains a concrete list of package versions (with checksums) to be installed. 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- name: pybind11 @@ -2081,12 +2081,12 @@ package: dependencies: libcxx: '>=16' pybind11-global: 2.12.0 - python: '>=3.12,<3.13.0a0' - python_abi: 3.12.* - url: https://conda.anaconda.org/conda-forge/osx-arm64/pybind11-2.12.0-py312h0fef576_0.conda + python: '>=3.9,<3.10.0a0' + python_abi: 3.9.* + url: https://conda.anaconda.org/conda-forge/osx-arm64/pybind11-2.12.0-py39h48c5dd5_0.conda hash: - md5: 4ca78040c1ef06d56ac2ac1bd4101fba - sha256: 181f659f133172770a18dbb1a5da47e101ca88eb33a5bf33c70cd219618f2c08 + md5: b8d0f0db62801e9882af16b1342e88b5 + sha256: ddfee0743134941e1823ad590318142d143e85edbfc0345f6bf8dc60cb8dc3b3 category: main optional: false - name: pybind11-global @@ -2096,12 +2096,12 @@ package: dependencies: libgcc-ng: '>=12' libstdcxx-ng: '>=12' - python: '>=3.12,<3.13.0a0' - python_abi: 3.12.* - url: https://conda.anaconda.org/conda-forge/linux-64/pybind11-global-2.12.0-py312h8572e83_0.conda + python: '>=3.9,<3.10.0a0' + python_abi: 3.9.* + url: 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main optional: false - name: pybind11-global @@ -2124,12 +2124,12 @@ package: platform: osx-arm64 dependencies: libcxx: '>=16' - python: '>=3.12,<3.13.0a0' - python_abi: 3.12.* - url: https://conda.anaconda.org/conda-forge/osx-arm64/pybind11-global-2.12.0-py312h0fef576_0.conda + python: '>=3.9,<3.10.0a0' + python_abi: 3.9.* + url: https://conda.anaconda.org/conda-forge/osx-arm64/pybind11-global-2.12.0-py39h48c5dd5_0.conda hash: - md5: ce44a1834f0637f779573cf27a2474e4 - sha256: 34b7aa102cce80efa8524971f67bd96b749281a2cde93b3da67d0fd6e6b1d26f + md5: 587e2f026d92996609fd4c7f69376cd6 + sha256: dd09c991b4568c180439fdc13df6cd874ac2d19b84bb991a4f4e84f94178dd0d category: main optional: false - name: pytest @@ -2187,109 +2187,104 @@ package: category: main optional: false - name: python - version: 3.12.4 + version: 3.9.19 manager: conda platform: linux-64 dependencies: bzip2: '>=1.0.8,<2.0a0' ld_impl_linux-64: '>=2.36.1' - libexpat: '>=2.6.2,<3.0a0' libffi: '>=3.4,<4.0a0' libgcc-ng: '>=12' 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https://conda.anaconda.org/conda-forge/osx-arm64/python_abi-3.12-4_cp312.conda + url: https://conda.anaconda.org/conda-forge/osx-arm64/python_abi-3.9-4_cp39.conda hash: - md5: bbb3a02c78b2d8219d7213f76d644a2a - sha256: db25428e4f24f8693ffa39f3ff6dfbb8fd53bc298764b775b57edab1c697560f + md5: be9e11a37bbab9cfdbcb36e52d8d73cb + sha256: 2ae06dcd1a03f023b6accf5bd989f42b689f708d3495affa22c2ed9f1d127726 category: main optional: false - name: readline diff --git a/.github/workflows/environments/update-lockfiles.sh b/.github/workflows/environments/update-lockfiles.sh index 8924249a99..0d880ecd3d 100755 --- a/.github/workflows/environments/update-lockfiles.sh +++ b/.github/workflows/environments/update-lockfiles.sh @@ -6,7 +6,23 @@ rm *-conda-lock.yml for python_version in 3.9 3.10 3.11 3.12 do - sed "s/python==.*/python=$python_version/g" environment.yaml > tmp.yaml|| exit 2 + sed "s/python==.*/python=$python_version/g" environment.yaml > tmp.yaml || exit 2 conda lock -f tmp.yaml -p osx-arm64 -p osx-64 -p linux-64 --lockfile py${python_version//.}-none-conda-lock.yml || exit 2 done + +for cuda_version in 12.5 +do + sed "s/python==.*/python=$python_version/g" environment.yaml > tmp.yaml || exit 2 + cat >>tmp.yaml <