diff --git a/.ci_support/migrations/cuda118.yaml b/.ci_support/migrations/cuda118.yaml deleted file mode 100644 index fdd298b9..00000000 --- a/.ci_support/migrations/cuda118.yaml +++ /dev/null @@ -1,99 +0,0 @@ -migrator_ts: 1692828152 -__migrator: - kind: - version - migration_number: - 1 - build_number: - 1 - paused: false - override_cbc_keys: - - cuda_compiler_stub - operation: key_add - check_solvable: false - primary_key: cuda_compiler_version - ordering: - cxx_compiler_version: - - 9 - - 8 - - 7 - c_compiler_version: - - 9 - - 8 - - 7 - fortran_compiler_version: - - 9 - - 8 - - 7 - docker_image: - # Native builds - - quay.io/condaforge/linux-anvil-comp7 # [os.environ.get("BUILD_PLATFORM") == "linux-64"] - - quay.io/condaforge/linux-anvil-aarch64 # [os.environ.get("BUILD_PLATFORM") == "linux-aarch64"] - - quay.io/condaforge/linux-anvil-ppc64le # [os.environ.get("BUILD_PLATFORM") == "linux-ppc64le"] - - quay.io/condaforge/linux-anvil-armv7l # [os.environ.get("BUILD_PLATFORM") == "linux-armv7l"] - - # Legacy CUDAs - - quay.io/condaforge/linux-anvil-cuda:9.2 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] - - quay.io/condaforge/linux-anvil-cuda:10.0 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] - - quay.io/condaforge/linux-anvil-cuda:10.1 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] - - quay.io/condaforge/linux-anvil-cuda:10.2 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] - - quay.io/condaforge/linux-anvil-cuda:11.0 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] - - quay.io/condaforge/linux-anvil-cuda:11.1 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] - - # CUDA 11.2 - - quay.io/condaforge/linux-anvil-cuda:11.2 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] - # CUDA 11.2 arch: native compilation (build == target) - - quay.io/condaforge/linux-anvil-ppc64le-cuda:11.2 # [ppc64le and os.environ.get("BUILD_PLATFORM") == "linux-ppc64le"] - - quay.io/condaforge/linux-anvil-aarch64-cuda:11.2 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-aarch64"] - # CUDA 11.2 arch: cross-compilation (build != target) - - quay.io/condaforge/linux-anvil-cuda:11.2 # [ppc64le and os.environ.get("BUILD_PLATFORM") == "linux-64"] - - quay.io/condaforge/linux-anvil-cuda:11.2 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] - - # CUDA 11.8 - - quay.io/condaforge/linux-anvil-cuda:11.8 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] - # CUDA 11.8 arch: native compilation (build == target) - - quay.io/condaforge/linux-anvil-ppc64le-cuda:11.8 # [ppc64le and os.environ.get("BUILD_PLATFORM") == "linux-ppc64le"] - - quay.io/condaforge/linux-anvil-aarch64-cuda:11.8 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-aarch64"] - # CUDA 11.8 arch: cross-compilation (build != target) - - quay.io/condaforge/linux-anvil-cuda:11.8 # [ppc64le and os.environ.get("BUILD_PLATFORM") == "linux-64"] - - quay.io/condaforge/linux-anvil-cuda:11.8 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] - - # Native CentOS 7 image - - quay.io/condaforge/linux-anvil-cos7-x86_64 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] - cuda_compiler_version: - - None - - 10.2 # [(linux64 or win) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - - 11.0 # [(linux64 or win) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - - 11.1 # [(linux64 or win) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - - 11.2 # [(linux or win) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - - 11.8 # [(linux or win) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - - 12.0 # [(linux or win) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - commit_message: | - Rebuild for CUDA 11.8 w/arch support - -cuda_compiler: # [(linux or win64) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - - nvcc # [(linux or win64) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - -cuda_compiler_version: # [(linux or win64) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - - 11.8 # [(linux or win64) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - -c_compiler_version: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - - 11 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - -cxx_compiler_version: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - - 11 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - -fortran_compiler_version: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - - 11 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - -cdt_name: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - - cos7 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - -docker_image: # [os.environ.get("BUILD_PLATFORM", "").startswith("linux-") and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] - - quay.io/condaforge/linux-anvil-cuda:11.8 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] - # case: native compilation (build == target) - - quay.io/condaforge/linux-anvil-ppc64le-cuda:11.8 # [ppc64le and os.environ.get("BUILD_PLATFORM") == "linux-ppc64le"] - - quay.io/condaforge/linux-anvil-aarch64-cuda:11.8 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-aarch64"] - # case: cross-compilation (build != target) - - quay.io/condaforge/linux-anvil-cuda:11.8 # [ppc64le and os.environ.get("BUILD_PLATFORM") == "linux-64"] - - quay.io/condaforge/linux-anvil-cuda:11.8 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] diff --git a/.gitignore b/.gitignore index c89ecb7d..179afe55 100644 --- a/.gitignore +++ b/.gitignore @@ -1,3 +1,24 @@ -*.pyc +# User content belongs under recipe/. +# Feedstock configuration goes in `conda-forge.yml` +# Everything else is managed by the conda-smithy rerender process. +# Please do not modify + +# Ignore all files and folders in root +* +!/conda-forge.yml + +# Don't ignore any files/folders if the parent folder is 'un-ignored' +# This also avoids warnings when adding an already-checked file with an ignored parent. +!/**/ +# Don't ignore any files/folders recursively in the following folders +!/recipe/** +!/.ci_support/** -build_artifacts +# Since we ignore files/folders recursively, any folders inside +# build_artifacts gets ignored which trips some build systems. +# To avoid that we 'un-ignore' all files/folders recursively +# and only ignore the root build_artifacts folder. +!/build_artifacts/** +/build_artifacts + +*.pyc diff --git a/.scripts/build_steps.sh b/.scripts/build_steps.sh index eba1dfdb..beda247e 100755 --- a/.scripts/build_steps.sh +++ b/.scripts/build_steps.sh @@ -57,12 +57,6 @@ if [[ -f "${FEEDSTOCK_ROOT}/LICENSE.txt" ]]; then cp "${FEEDSTOCK_ROOT}/LICENSE.txt" "${RECIPE_ROOT}/recipe-scripts-license.txt" fi -if [[ "${sha:-}" == "" ]]; then - pushd ${FEEDSTOCK_ROOT} - sha=$(git rev-parse HEAD) - popd -fi - if [[ "${BUILD_WITH_CONDA_DEBUG:-0}" == 1 ]]; then if [[ "x${BUILD_OUTPUT_ID:-}" != "x" ]]; then EXTRA_CB_OPTIONS="${EXTRA_CB_OPTIONS:-} --output-id ${BUILD_OUTPUT_ID}" diff --git a/.scripts/run_docker_build.sh b/.scripts/run_docker_build.sh index b70ef014..00f377a8 100755 --- a/.scripts/run_docker_build.sh +++ b/.scripts/run_docker_build.sh @@ -21,6 +21,12 @@ if [ -z ${FEEDSTOCK_NAME} ]; then export FEEDSTOCK_NAME=$(basename ${FEEDSTOCK_ROOT}) fi +if [[ "${sha:-}" == "" ]]; then + pushd "${FEEDSTOCK_ROOT}" + sha=$(git rev-parse HEAD) + popd +fi + docker info # In order for the conda-build process in the container to write to the mounted diff --git a/.scripts/run_win_build.bat b/.scripts/run_win_build.bat index 7d2fdd6b..48734de9 100755 --- a/.scripts/run_win_build.bat +++ b/.scripts/run_win_build.bat @@ -42,7 +42,9 @@ if EXIST LICENSE.txt ( copy LICENSE.txt "recipe\\recipe-scripts-license.txt" ) if NOT [%HOST_PLATFORM%] == [%BUILD_PLATFORM%] ( - set "EXTRA_CB_OPTIONS=%EXTRA_CB_OPTIONS% --no-test" + if [%CROSSCOMPILING_EMULATOR%] == [] ( + set "EXTRA_CB_OPTIONS=%EXTRA_CB_OPTIONS% --no-test" + ) ) if NOT [%flow_run_id%] == [] ( diff --git a/recipe/meta.yaml b/recipe/meta.yaml index b5f8567c..4e279355 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,6 +1,6 @@ {% set name = "openmm" %} -{% set version = "8.1.0" %} -{% set build = 1 %} +{% set version = "8.1.1" %} +{% set build = 0 %} {% set with_test_suite = "false" %} #{% set with_test_suite = "true" %} # [(osx and arm64)] @@ -16,7 +16,7 @@ package: source: git_url: https://github.com/openmm/{{ name }}.git - git_rev: "43f571d" + git_rev: "ec797ac" build: number: {{ build }}