diff --git a/.azure-pipelines/azure-pipelines-linux.yml b/.azure-pipelines/azure-pipelines-linux.yml index c320fe42..051fcecd 100755 --- a/.azure-pipelines/azure-pipelines-linux.yml +++ b/.azure-pipelines/azure-pipelines-linux.yml @@ -8,115 +8,156 @@ jobs: vmImage: ubuntu-latest strategy: matrix: - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython + ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython + : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h5389ee5683 - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h658f2fae0e + ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython + : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h54a0bf5910 + ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy + : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hd34afad97c + ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython + : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hdcdd9171d3 + ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython + : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h580b7334a4 + ? linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython + : CONFIG: linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_64_c_compiler_version12cuda_c_h83196aa1eb + ? linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython + : CONFIG: linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_64_c_compiler_version12cuda_c_h820833f12a + ? linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy + : CONFIG: linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hb57a129962 - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_64_c_compiler_version12cuda_c_ha2a137a998 + ? linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython + : CONFIG: linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h2751d9faff - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_64_c_compiler_version12cuda_c_h5a261b38fb + ? linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython + : CONFIG: linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hf3102243de - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_64_c_compiler_version12cuda_c_hd008acaf9d + linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython: + CONFIG: linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hc644ec66fe - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython + SHORT_CONFIG: linux_aarch64_c_compiler_version10c_h99b22bcb8e + linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython: + CONFIG: linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h2a2c77454b - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython + SHORT_CONFIG: linux_aarch64_c_compiler_version10c_hc5c82bfe02 + linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy: + CONFIG: linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h0dbcfba145 - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython + SHORT_CONFIG: linux_aarch64_c_compiler_version10c_h70456e18bd + linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython: + CONFIG: linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h53d7830257 - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_hcab811f76d - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h8f3a96c83b - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h172a199072 - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h7c05346da3 - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h50358cd8d8 - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_hd5c4d83b9a - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h97cf3b29ee - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h3cb1e222e6 - linux_aarch64_numpy1.20python3.8.____cpython: - CONFIG: linux_aarch64_numpy1.20python3.8.____cpython + SHORT_CONFIG: linux_aarch64_c_compiler_version10c_h968d4f0b44 + linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython: + CONFIG: linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_aarch64_c_compiler_version10c_hd562e86a91 + linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h5dcedd48b2 + linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h48f5378d61 + linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_hef72d13c4d + linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.20python3.8.____cpython - linux_aarch64_numpy1.20python3.9.____cpython: - CONFIG: linux_aarch64_numpy1.20python3.9.____cpython + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_hb21beff7ef + linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.20python3.9.____cpython - linux_aarch64_numpy1.21python3.10.____cpython: - CONFIG: linux_aarch64_numpy1.21python3.10.____cpython + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h0e2e042b5f + linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.21python3.10.____cpython - linux_aarch64_numpy1.23python3.11.____cpython: - CONFIG: linux_aarch64_numpy1.23python3.11.____cpython + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h52126a5a3d + linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.23python3.11.____cpython - maxParallel: 19 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_hb546d53ab8 + linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h3e68912615 + linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h873f4d6025 + linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_hd95d8cc773 timeoutInMinutes: 360 steps: - script: | - rm -rf /opt/ghc + sudo mkdir -p /opt/empty_dir || true + for d in \ + /opt/ghc \ + /opt/hostedtoolcache \ + /usr/lib/jvm \ + /usr/local/.ghcup \ + /usr/local/lib/android \ + /usr/local/share/powershell \ + /usr/share/dotnet \ + /usr/share/swift \ + ; do + sudo rsync --stats -a --delete /opt/empty_dir/ $d || true + done + sudo apt-get purge -y -f firefox \ + google-chrome-stable \ + microsoft-edge-stable + sudo apt-get autoremove -y >& /dev/null + sudo apt-get autoclean -y >& /dev/null + sudo docker image prune --all --force df -h displayName: Manage disk space - # configure qemu binfmt-misc running. This allows us to run docker containers # embedded qemu-static - script: | diff --git a/.azure-pipelines/azure-pipelines-osx.yml b/.azure-pipelines/azure-pipelines-osx.yml index 5ff0fc6d..055b7192 100755 --- a/.azure-pipelines/azure-pipelines-osx.yml +++ b/.azure-pipelines/azure-pipelines-osx.yml @@ -8,30 +8,38 @@ jobs: vmImage: macOS-11 strategy: matrix: - osx_64_numpy1.20opencl_implapplepython3.8.____cpython: - CONFIG: osx_64_numpy1.20opencl_implapplepython3.8.____cpython + osx_64_numpy1.22opencl_implapplepython3.10.____cpython: + CONFIG: osx_64_numpy1.22opencl_implapplepython3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.20opencl_implapplepyt_hb7e1ab75ca - osx_64_numpy1.20opencl_implapplepython3.9.____cpython: - CONFIG: osx_64_numpy1.20opencl_implapplepython3.9.____cpython + SHORT_CONFIG: osx_64_numpy1.22opencl_implapplepyt_h0f956ba837 + osx_64_numpy1.22opencl_implapplepython3.8.____cpython: + CONFIG: osx_64_numpy1.22opencl_implapplepython3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.20opencl_implapplepyt_h9b669d72c4 - osx_64_numpy1.20opencl_implkhronospython3.8.____cpython: - CONFIG: osx_64_numpy1.20opencl_implkhronospython3.8.____cpython + SHORT_CONFIG: osx_64_numpy1.22opencl_implapplepyt_h20e0aa4206 + osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy: + CONFIG: osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.20opencl_implkhronosp_ha23011d7b3 - osx_64_numpy1.20opencl_implkhronospython3.9.____cpython: - CONFIG: osx_64_numpy1.20opencl_implkhronospython3.9.____cpython + SHORT_CONFIG: osx_64_numpy1.22opencl_implapplepyt_ha41379a729 + osx_64_numpy1.22opencl_implapplepython3.9.____cpython: + CONFIG: osx_64_numpy1.22opencl_implapplepython3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.20opencl_implkhronosp_hdda32f648c - osx_64_numpy1.21opencl_implapplepython3.10.____cpython: - CONFIG: osx_64_numpy1.21opencl_implapplepython3.10.____cpython + SHORT_CONFIG: osx_64_numpy1.22opencl_implapplepyt_h5dd8afa882 + osx_64_numpy1.22opencl_implkhronospython3.10.____cpython: + CONFIG: osx_64_numpy1.22opencl_implkhronospython3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.21opencl_implapplepyt_hec2dc01049 - osx_64_numpy1.21opencl_implkhronospython3.10.____cpython: - CONFIG: osx_64_numpy1.21opencl_implkhronospython3.10.____cpython + SHORT_CONFIG: osx_64_numpy1.22opencl_implkhronosp_h444b95cfd3 + osx_64_numpy1.22opencl_implkhronospython3.8.____cpython: + CONFIG: osx_64_numpy1.22opencl_implkhronospython3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.21opencl_implkhronosp_h0bc6add440 + SHORT_CONFIG: osx_64_numpy1.22opencl_implkhronosp_hed4c351a82 + osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy: + CONFIG: osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.22opencl_implkhronosp_h979267211e + osx_64_numpy1.22opencl_implkhronospython3.9.____cpython: + CONFIG: osx_64_numpy1.22opencl_implkhronospython3.9.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.22opencl_implkhronosp_he95451b8a1 osx_64_numpy1.23opencl_implapplepython3.11.____cpython: CONFIG: osx_64_numpy1.23opencl_implapplepython3.11.____cpython UPLOAD_PACKAGES: 'True' @@ -40,30 +48,30 @@ jobs: CONFIG: osx_64_numpy1.23opencl_implkhronospython3.11.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_64_numpy1.23opencl_implkhronosp_h1b3f6d8cac - osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython: - CONFIG: osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython + osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython: + CONFIG: osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.20opencl_implapple_hb56b02eb8e - osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython: - CONFIG: osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython + SHORT_CONFIG: osx_arm64_numpy1.22opencl_implapple_h486dba8573 + osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython: + CONFIG: osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.20opencl_implapple_he4f7fd527f - osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython: - CONFIG: osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython + SHORT_CONFIG: osx_arm64_numpy1.22opencl_implapple_h5987b31d88 + osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython: + CONFIG: osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.20opencl_implkhron_hea1d3745fe - osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython: - CONFIG: osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython + SHORT_CONFIG: osx_arm64_numpy1.22opencl_implapple_hbb02a0fadd + osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython: + CONFIG: osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.20opencl_implkhron_hbaca95ab19 - osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython: - CONFIG: osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython + SHORT_CONFIG: osx_arm64_numpy1.22opencl_implkhron_h9f96414b2f + osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython: + CONFIG: osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.21opencl_implapple_h0fc8446d3b - osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython: - CONFIG: osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython + SHORT_CONFIG: osx_arm64_numpy1.22opencl_implkhron_hdb80c5cafd + osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython: + CONFIG: osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.21opencl_implkhron_h1b495945d9 + SHORT_CONFIG: osx_arm64_numpy1.22opencl_implkhron_h4b805475b5 osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython: CONFIG: osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython UPLOAD_PACKAGES: 'True' @@ -72,7 +80,6 @@ jobs: CONFIG: osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_arm64_numpy1.23opencl_implkhron_h95b3c2c1e1 - maxParallel: 15 timeoutInMinutes: 360 steps: diff --git a/.azure-pipelines/azure-pipelines-win.yml b/.azure-pipelines/azure-pipelines-win.yml index 86677cdd..a8d53680 100755 --- a/.azure-pipelines/azure-pipelines-win.yml +++ b/.azure-pipelines/azure-pipelines-win.yml @@ -5,80 +5,36 @@ jobs: - job: win pool: - vmImage: windows-2019 + vmImage: windows-2022 strategy: matrix: - win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython + win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_h5ce4fb4684 - win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_hf70b5c66bb + win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_h7476aa8f61 - win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_he77ef43bcd + win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_head2835e54 - win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h7849157c63 + win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_h1c766b7670 - win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h042162825e + win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h0f42e2a2d0 - win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_hd1d44fb2a7 - win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_ha8f0746982 - win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h96d9073a2b - win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_hf101515db1 - win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_hd7568089ff - win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_h2752598360 - win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_hf30f5efab8 - win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_hfb470cab27 - win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_he8609bbd37 - win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_had44251dbf - win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_h89a25a1b56 - maxParallel: 15 + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h275b1247ec timeoutInMinutes: 360 variables: CONDA_BLD_PATH: D:\\bld\\ UPLOAD_TEMP: D:\\tmp steps: + - task: PythonScript@0 displayName: 'Download Miniforge' inputs: @@ -97,35 +53,17 @@ jobs: displayName: Add conda to PATH - script: | - call activate base - mamba.exe install "python=3.9" conda-build conda pip boa conda-forge-ci-setup=3 "py-lief<0.12" -c conda-forge --strict-channel-priority --yes - displayName: Install conda-build - - - script: set PYTHONUNBUFFERED=1 - displayName: Set PYTHONUNBUFFERED - - # Configure the VM - - script: | - call activate base - setup_conda_rc .\ ".\recipe" .\.ci_support\%CONFIG%.yaml - displayName: conda-forge CI setup - - # Configure the VM. - - script: | - set "CI=azure" - call activate base - run_conda_forge_build_setup - displayName: conda-forge build setup - - - script: | - call activate base - if EXIST LICENSE.txt ( - copy LICENSE.txt "recipe\\recipe-scripts-license.txt" - ) - conda.exe mambabuild "recipe" -m .ci_support\%CONFIG%.yaml --suppress-variables - displayName: Build recipe + call ".scripts\run_win_build.bat" + displayName: Run Windows build env: PYTHONUNBUFFERED: 1 + CONFIG: $(CONFIG) + CI: azure + UPLOAD_PACKAGES: $(UPLOAD_PACKAGES) + UPLOAD_TEMP: $(UPLOAD_TEMP) + BINSTAR_TOKEN: $(BINSTAR_TOKEN) + FEEDSTOCK_TOKEN: $(FEEDSTOCK_TOKEN) + STAGING_BINSTAR_TOKEN: $(STAGING_BINSTAR_TOKEN) - script: | set CI=azure set CI_RUN_ID=$(build.BuildNumber).$(system.JobAttempt) @@ -152,24 +90,4 @@ jobs: condition: not(eq(variables.ENV_ARTIFACT_PATH, '')) inputs: targetPath: $(ENV_ARTIFACT_PATH) - artifactName: $(ENV_ARTIFACT_NAME) - - script: | - set "FEEDSTOCK_NAME=%BUILD_REPOSITORY_NAME:*/=%" - call activate base - validate_recipe_outputs "%FEEDSTOCK_NAME%" - displayName: Validate Recipe Outputs - - - script: | - set "GIT_BRANCH=%BUILD_SOURCEBRANCHNAME%" - set "FEEDSTOCK_NAME=%BUILD_REPOSITORY_NAME:*/=%" - set "TEMP=$(UPLOAD_TEMP)" - if not exist "%TEMP%\" md "%TEMP%" - set "TMP=%TEMP%" - call activate base - upload_package --validate --feedstock-name="%FEEDSTOCK_NAME%" .\ ".\recipe" .ci_support\%CONFIG%.yaml - displayName: Upload package - env: - BINSTAR_TOKEN: $(BINSTAR_TOKEN) - FEEDSTOCK_TOKEN: $(FEEDSTOCK_TOKEN) - STAGING_BINSTAR_TOKEN: $(STAGING_BINSTAR_TOKEN) - condition: and(succeeded(), not(eq(variables['UPLOAD_PACKAGES'], 'False')), not(eq(variables['Build.Reason'], 'PullRequest'))) \ No newline at end of file + artifactName: $(ENV_ARTIFACT_NAME) \ No newline at end of file diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython.yaml deleted file mode 100644 index 5fec8569..00000000 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.1 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.8.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython.yaml deleted file mode 100644 index 8fc3a74f..00000000 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.1 -numpy: -- '1.21' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.10.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython.yaml deleted file mode 100644 index 50000541..00000000 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.1 -numpy: -- '1.23' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.11.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml similarity index 95% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml index 839b09d4..4651e255 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 numpy: -- '1.21' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml similarity index 95% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml index 55773940..656c92ff 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml new file mode 100644 index 00000000..44ec1bb2 --- /dev/null +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml @@ -0,0 +1,39 @@ +c_compiler: +- gcc +c_compiler_version: +- '10' +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler: +- nvcc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.2 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- linux-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml similarity index 95% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml index 301ad65a..13645f44 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml similarity index 96% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml index 03e8368a..2a44532d 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml similarity index 81% rename from .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml index 106c2643..29760b4d 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '7' +- '12' cdt_name: - cos7 channel_sources: @@ -9,17 +9,17 @@ channel_sources: channel_targets: - conda-forge openmm_rc cuda_compiler: -- nvcc +- cuda-nvcc cuda_compiler_version: -- '10.2' +- '12.0' cxx_compiler: - gxx cxx_compiler_version: -- '7' +- '12' docker_image: -- quay.io/condaforge/linux-anvil-cos7-cuda:10.2 +- quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.21' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml similarity index 81% rename from .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml index 778d300e..274d64a7 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '7' +- '12' cdt_name: - cos7 channel_sources: @@ -9,17 +9,17 @@ channel_sources: channel_targets: - conda-forge openmm_rc cuda_compiler: -- nvcc +- cuda-nvcc cuda_compiler_version: -- '10.2' +- '12.0' cxx_compiler: - gxx cxx_compiler_version: -- '7' +- '12' docker_image: -- quay.io/condaforge/linux-anvil-cos7-cuda:10.2 +- quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml new file mode 100644 index 00000000..e16f9237 --- /dev/null +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml @@ -0,0 +1,39 @@ +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler: +- cuda-nvcc +cuda_compiler_version: +- '12.0' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- linux-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml similarity index 81% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml index 9928781d..f812a967 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '10' +- '12' cdt_name: - cos7 channel_sources: @@ -9,17 +9,17 @@ channel_sources: channel_targets: - conda-forge openmm_rc cuda_compiler: -- nvcc +- cuda-nvcc cuda_compiler_version: -- '11.1' +- '12.0' cxx_compiler: - gxx cxx_compiler_version: -- '10' +- '12' docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.1 +- quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml similarity index 83% rename from .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml index 1cc1b502..f9dbe97b 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '7' +- '12' cdt_name: - cos7 channel_sources: @@ -9,15 +9,15 @@ channel_sources: channel_targets: - conda-forge openmm_rc cuda_compiler: -- nvcc +- cuda-nvcc cuda_compiler_version: -- '10.2' +- '12.0' cxx_compiler: - gxx cxx_compiler_version: -- '7' +- '12' docker_image: -- quay.io/condaforge/linux-anvil-cos7-cuda:10.2 +- quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: - '1.23' pin_run_as_build: @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython.yaml deleted file mode 100644 index 449029d3..00000000 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '7' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '10.2' -cxx_compiler: -- gxx -cxx_compiler_version: -- '7' -docker_image: -- quay.io/condaforge/linux-anvil-cos7-cuda:10.2 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython.yaml deleted file mode 100644 index 24eb4bcd..00000000 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '9' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- gxx -cxx_compiler_version: -- '9' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.0 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.8.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython.yaml deleted file mode 100644 index 1dcac203..00000000 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '9' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- gxx -cxx_compiler_version: -- '9' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.0 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython.yaml deleted file mode 100644 index 95244d4d..00000000 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '9' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- gxx -cxx_compiler_version: -- '9' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.0 -numpy: -- '1.21' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.10.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython.yaml deleted file mode 100644 index b1cff5c2..00000000 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '9' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- gxx -cxx_compiler_version: -- '9' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.0 -numpy: -- '1.23' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.11.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml new file mode 100644 index 00000000..b558cd86 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '10' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.2 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.10.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml new file mode 100644 index 00000000..4a84f34f --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '10' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.2 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.8.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml new file mode 100644 index 00000000..2bc3e639 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '10' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.2 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml new file mode 100644 index 00000000..d25d20bb --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '10' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.2 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml new file mode 100644 index 00000000..4645032f --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '10' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.2 +numpy: +- '1.23' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.11.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml new file mode 100644 index 00000000..e826adc4 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '12.0' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.10.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml new file mode 100644 index 00000000..90b94a77 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '12.0' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.8.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml new file mode 100644 index 00000000..0624ec48 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '12.0' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml new file mode 100644 index 00000000..cb024cc9 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '12.0' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml new file mode 100644 index 00000000..87e73ccd --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '12.0' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.23' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.11.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython.yaml similarity index 96% rename from .ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml rename to .ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython.yaml index e18779f2..9de154b8 100644 --- a/.ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '11' +- '12' cdt_arch: - aarch64 cdt_name: @@ -17,11 +17,11 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '11' +- '12' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.21' +- '1.22' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.20python3.8.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython.yaml similarity index 96% rename from .ci_support/linux_aarch64_numpy1.20python3.8.____cpython.yaml rename to .ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython.yaml index 4509d4fe..6eafadcb 100644 --- a/.ci_support/linux_aarch64_numpy1.20python3.8.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '11' +- '12' cdt_arch: - aarch64 cdt_name: @@ -17,11 +17,11 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '11' +- '12' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml new file mode 100644 index 00000000..cb1c2bf9 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_numpy1.20python3.9.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython.yaml similarity index 96% rename from .ci_support/linux_aarch64_numpy1.20python3.9.____cpython.yaml rename to .ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython.yaml index d2e7c170..9ac4b2be 100644 --- a/.ci_support/linux_aarch64_numpy1.20python3.9.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '11' +- '12' cdt_arch: - aarch64 cdt_name: @@ -17,11 +17,11 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '11' +- '12' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython.yaml similarity index 97% rename from .ci_support/linux_aarch64_numpy1.23python3.11.____cpython.yaml rename to .ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython.yaml index 28b6d125..51556488 100644 --- a/.ci_support/linux_aarch64_numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '11' +- '12' cdt_arch: - aarch64 cdt_name: @@ -17,7 +17,7 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '11' +- '12' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: diff --git a/.ci_support/migrations/cuda120.yaml b/.ci_support/migrations/cuda120.yaml new file mode 100644 index 00000000..49da33d7 --- /dev/null +++ b/.ci_support/migrations/cuda120.yaml @@ -0,0 +1,90 @@ +migrator_ts: 1682985063 +__migrator: + kind: + version + migration_number: + 2 + 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: + - 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"] + - 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"] + - quay.io/condaforge/linux-anvil-cuda:11.2 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] + # case: 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"] + # case: 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"] + # case: non-CUDA builds + - 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"] + - 12.0 # [(linux or win) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + commit_message: | + Rebuild for CUDA 12 w/arch support + + The transition to CUDA 12 SDK includes new packages for all CUDA libraries and + build tools. Notably, the cudatoolkit package no longer exists, and packages + should depend directly on the specific CUDA libraries (libcublas, libcusolver, + etc) as needed. For an in-depth overview of the changes and to report problems + [see this issue]( https://github.com/conda-forge/conda-forge.github.io/issues/1963 ). + Please feel free to raise any issues encountered there. Thank you! :pray: + +cuda_compiler: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - cuda-nvcc # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + +cuda_compiler_version: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - 12.0 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + +c_compiler_version: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - 12 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + +cxx_compiler_version: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - 12 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + +fortran_compiler_version: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - 12 # [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-cos7-x86_64 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64" and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + # case: native compilation (build == target) + - quay.io/condaforge/linux-anvil-ppc64le # [ppc64le and os.environ.get("BUILD_PLATFORM") == "linux-ppc64le"] + - quay.io/condaforge/linux-anvil-aarch64 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-aarch64"] + # case: cross-compilation (build != target) + - quay.io/condaforge/linux-anvil-cos7-x86_64 # [ppc64le and os.environ.get("BUILD_PLATFORM") == "linux-64"] + - quay.io/condaforge/linux-anvil-cos7-x86_64 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] diff --git a/.ci_support/migrations/python311.yaml b/.ci_support/migrations/pypy38.yaml similarity index 55% rename from .ci_support/migrations/python311.yaml rename to .ci_support/migrations/pypy38.yaml index d23a0fd2..065dae61 100644 --- a/.ci_support/migrations/python311.yaml +++ b/.ci_support/migrations/pypy38.yaml @@ -1,4 +1,4 @@ -migrator_ts: 1666686085 +migrator_ts: 1647123563 __migrator: migration_number: 1 operation: key_add @@ -10,28 +10,32 @@ __migrator: - 3.8.* *_cpython - 3.9.* *_cpython - 3.10.* *_cpython - - 3.11.* *_cpython # new entry + - 3.11.* *_cpython - 3.6.* *_73_pypy - 3.7.* *_73_pypy - 3.8.* *_73_pypy - 3.9.* *_73_pypy - paused: false + paused: False longterm: True + use_local: False + check_solvable: True + exclude_pinned_pkgs: False pr_limit: 10 - max_solver_attempts: 10 # this will make the bot retry "not solvable" stuff 10 times + bump_number: 1 + commit_message: "Rebuild for PyPy3.9" exclude: # this shouldn't attempt to modify the python feedstocks - python - pypy3.6 - pypy-meta - - cross-python - - python_abi - exclude_pinned_pkgs: false + ignored_deps_per_node: + matplotlib: + - pyqt python: - - 3.11.* *_cpython -# additional entries to add for zip_keys + - 3.9.* *_73_pypy # [not (osx and arm64)] numpy: - - 1.23 + # part of a zip_keys: python, python_impl, numpy + - 1.22 # [not (osx and arm64)] python_impl: - - cpython + - pypy # [not (osx and arm64)] diff --git a/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml rename to .ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml index 6c1f06b0..326c73ae 100644 --- a/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.21' +- '1.22' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.20opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.20opencl_implapplepython3.8.____cpython.yaml rename to .ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml index 052ce675..90d8acdb 100644 --- a/.ci_support/osx_64_numpy1.20opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.20' +- '1.22' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml new file mode 100644 index 00000000..284de75d --- /dev/null +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml @@ -0,0 +1,37 @@ +MACOSX_DEPLOYMENT_TARGET: +- '10.9' +MACOSX_SDK_VERSION: +- '10.12' +c_compiler: +- clang +c_compiler_version: +- '15' +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- clangxx +cxx_compiler_version: +- '15' +macos_machine: +- x86_64-apple-darwin13.4.0 +numpy: +- '1.22' +opencl_impl: +- apple +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- osx-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version +- - python + - numpy diff --git a/.ci_support/osx_64_numpy1.20opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.20opencl_implapplepython3.9.____cpython.yaml rename to .ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml index c9ec16db..5161aa0d 100644 --- a/.ci_support/osx_64_numpy1.20opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.20' +- '1.22' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml rename to .ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml index d4b6c3f6..b3157d75 100644 --- a/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.21' +- '1.22' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml rename to .ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml index 1b54d2b3..31b36fe6 100644 --- a/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.20' +- '1.22' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml new file mode 100644 index 00000000..a2c5cc58 --- /dev/null +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml @@ -0,0 +1,37 @@ +MACOSX_DEPLOYMENT_TARGET: +- '10.9' +MACOSX_SDK_VERSION: +- '10.12' +c_compiler: +- clang +c_compiler_version: +- '15' +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- clangxx +cxx_compiler_version: +- '15' +macos_machine: +- x86_64-apple-darwin13.4.0 +numpy: +- '1.22' +opencl_impl: +- khronos +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- osx-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version +- - python + - numpy diff --git a/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml rename to .ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml index a2518e76..9c96973b 100644 --- a/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.20' +- '1.22' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml b/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml index 6ddb0d2f..875d77c8 100644 --- a/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml b/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml index 69a6b7ab..872ec3fe 100644 --- a/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml index 3b21fd04..25074ebf 100644 --- a/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.21' +- '1.22' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml index c23d8faf..facc85c6 100644 --- a/.ci_support/osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.20' +- '1.22' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml index 563720be..505ee5e6 100644 --- a/.ci_support/osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.20' +- '1.22' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml index bf280dcf..e51bf877 100644 --- a/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.21' +- '1.22' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml index ea3dfc9d..0e5510ca 100644 --- a/.ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.20' +- '1.22' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml index f9eb4ff2..5f713074 100644 --- a/.ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.20' +- '1.22' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml b/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml index c41c171e..d5709641 100644 --- a/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,7 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: diff --git a/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml b/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml index 663e956e..d6c7f899 100644 --- a/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,7 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython.yaml deleted file mode 100644 index d48b4778..00000000 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '10.2' -cxx_compiler: -- vs2019 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.8.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython.yaml deleted file mode 100644 index d1c1fc96..00000000 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '10.2' -cxx_compiler: -- vs2019 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython.yaml deleted file mode 100644 index f665d9a4..00000000 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '10.2' -cxx_compiler: -- vs2019 -numpy: -- '1.21' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.10.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython.yaml deleted file mode 100644 index ad1e9ce4..00000000 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '10.2' -cxx_compiler: -- vs2019 -numpy: -- '1.23' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.11.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython.yaml deleted file mode 100644 index 5bbc9be1..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- vs2019 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.8.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython.yaml deleted file mode 100644 index 413a578f..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- vs2019 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython.yaml deleted file mode 100644 index 3831f1dd..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- vs2019 -numpy: -- '1.21' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.10.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython.yaml deleted file mode 100644 index d97ceaeb..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- vs2019 -numpy: -- '1.23' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.11.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython.yaml deleted file mode 100644 index 5cc511ff..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- vs2019 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.8.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython.yaml deleted file mode 100644 index eff4a82b..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- vs2019 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython.yaml deleted file mode 100644 index 8779c0b6..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- vs2019 -numpy: -- '1.21' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.10.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython.yaml deleted file mode 100644 index 9f280742..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- vs2019 -numpy: -- '1.23' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.11.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython.yaml similarity index 85% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython.yaml rename to .ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython.yaml index 0569a77a..51de48a5 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython.yaml @@ -11,7 +11,7 @@ cuda_compiler_version: cxx_compiler: - vs2019 numpy: -- '1.21' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -21,5 +21,7 @@ python: target_platform: - win-64 zip_keys: +- - cuda_compiler + - cuda_compiler_version - - python - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython.yaml similarity index 85% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython.yaml rename to .ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython.yaml index 231ecb8d..78bf3b2e 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython.yaml @@ -11,7 +11,7 @@ cuda_compiler_version: cxx_compiler: - vs2019 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -21,5 +21,7 @@ python: target_platform: - win-64 zip_keys: +- - cuda_compiler + - cuda_compiler_version - - python - numpy diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy.yaml new file mode 100644 index 00000000..560021b5 --- /dev/null +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy.yaml @@ -0,0 +1,27 @@ +c_compiler: +- vs2019 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler: +- nvcc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- vs2019 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- win-64 +zip_keys: +- - cuda_compiler + - cuda_compiler_version +- - python + - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython.yaml similarity index 85% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython.yaml rename to .ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython.yaml index 32d32197..f1e756d1 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython.yaml @@ -11,7 +11,7 @@ cuda_compiler_version: cxx_compiler: - vs2019 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -21,5 +21,7 @@ python: target_platform: - win-64 zip_keys: +- - cuda_compiler + - cuda_compiler_version - - python - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml similarity index 88% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml rename to .ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml index 97e9faba..b3653c01 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml @@ -21,5 +21,7 @@ python: target_platform: - win-64 zip_keys: +- - cuda_compiler + - cuda_compiler_version - - python - numpy diff --git a/.scripts/build_steps.sh b/.scripts/build_steps.sh index 84431a63..322832b9 100755 --- a/.scripts/build_steps.sh +++ b/.scripts/build_steps.sh @@ -31,11 +31,10 @@ pkgs_dirs: CONDARC - -mamba install --update-specs --yes --quiet --channel conda-forge \ - conda-build pip boa conda-forge-ci-setup=3 "py-lief<0.12" -mamba update --update-specs --yes --quiet --channel conda-forge \ - conda-build pip boa conda-forge-ci-setup=3 "py-lief<0.12" +mamba install --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ + pip mamba conda-build boa conda-forge-ci-setup=3 +mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ + pip mamba conda-build boa conda-forge-ci-setup # set up the condarc setup_conda_rc "${FEEDSTOCK_ROOT}" "${RECIPE_ROOT}" "${CONFIG_FILE}" diff --git a/.scripts/create_conda_build_artifacts.bat b/.scripts/create_conda_build_artifacts.bat index 79ce625d..2853cfdc 100755 --- a/.scripts/create_conda_build_artifacts.bat +++ b/.scripts/create_conda_build_artifacts.bat @@ -54,8 +54,8 @@ if defined BLD_ARTIFACT_PREFIX ( echo ##vso[task.setVariable variable=BLD_ARTIFACT_PATH]!BLD_ARTIFACT_PATH! ) if "%CI%" == "github_actions" ( - echo ::set-output name=BLD_ARTIFACT_NAME::!BLD_ARTIFACT_NAME! - echo ::set-output name=BLD_ARTIFACT_PATH::!BLD_ARTIFACT_PATH! + echo BLD_ARTIFACT_NAME=!BLD_ARTIFACT_NAME!>> !GITHUB_OUTPUT! + echo BLD_ARTIFACT_PATH=!BLD_ARTIFACT_PATH!>> !GITHUB_OUTPUT! ) ) @@ -74,7 +74,7 @@ if defined ENV_ARTIFACT_PREFIX ( echo ##vso[task.setVariable variable=ENV_ARTIFACT_PATH]!ENV_ARTIFACT_PATH! ) if "%CI%" == "github_actions" ( - echo ::set-output name=ENV_ARTIFACT_NAME::!ENV_ARTIFACT_NAME! - echo ::set-output name=ENV_ARTIFACT_PATH::!ENV_ARTIFACT_PATH! + echo ENV_ARTIFACT_NAME=!ENV_ARTIFACT_NAME!>> !GITHUB_OUTPUT! + echo ENV_ARTIFACT_PATH=!ENV_ARTIFACT_PATH!>> !GITHUB_OUTPUT! ) ) \ No newline at end of file diff --git a/.scripts/create_conda_build_artifacts.sh b/.scripts/create_conda_build_artifacts.sh index cba0faee..17ec0868 100755 --- a/.scripts/create_conda_build_artifacts.sh +++ b/.scripts/create_conda_build_artifacts.sh @@ -79,8 +79,8 @@ if [[ ! -z "$BLD_ARTIFACT_PREFIX" ]]; then echo "##vso[task.setVariable variable=BLD_ARTIFACT_NAME]$BLD_ARTIFACT_NAME" echo "##vso[task.setVariable variable=BLD_ARTIFACT_PATH]$BLD_ARTIFACT_PATH" elif [[ "$CI" == "github_actions" ]]; then - echo "::set-output name=BLD_ARTIFACT_NAME::$BLD_ARTIFACT_NAME" - echo "::set-output name=BLD_ARTIFACT_PATH::$BLD_ARTIFACT_PATH" + echo "BLD_ARTIFACT_NAME=$BLD_ARTIFACT_NAME" >> $GITHUB_OUTPUT + echo "BLD_ARTIFACT_PATH=$BLD_ARTIFACT_PATH" >> $GITHUB_OUTPUT fi fi @@ -107,7 +107,7 @@ if [[ ! -z "$ENV_ARTIFACT_PREFIX" ]]; then echo "##vso[task.setVariable variable=ENV_ARTIFACT_NAME]$ENV_ARTIFACT_NAME" echo "##vso[task.setVariable variable=ENV_ARTIFACT_PATH]$ENV_ARTIFACT_PATH" elif [[ "$CI" == "github_actions" ]]; then - echo "::set-output name=ENV_ARTIFACT_NAME::$ENV_ARTIFACT_NAME" - echo "::set-output name=ENV_ARTIFACT_PATH::$ENV_ARTIFACT_PATH" + echo "ENV_ARTIFACT_NAME=$ENV_ARTIFACT_NAME" >> $GITHUB_OUTPUT + echo "ENV_ARTIFACT_PATH=$ENV_ARTIFACT_PATH" >> $GITHUB_OUTPUT fi fi \ No newline at end of file diff --git a/.scripts/logging_utils.sh b/.scripts/logging_utils.sh index 57bc95c2..aff009f0 100644 --- a/.scripts/logging_utils.sh +++ b/.scripts/logging_utils.sh @@ -12,7 +12,7 @@ function startgroup { echo "##[group]$1";; travis ) echo "$1" - echo -en 'travis_fold:start:'"${1// /}"'\\r';; + echo -en 'travis_fold:start:'"${1// /}"'\r';; github_actions ) echo "::group::$1";; * ) @@ -28,7 +28,7 @@ function endgroup { azure ) echo "##[endgroup]";; travis ) - echo -en 'travis_fold:end:'"${1// /}"'\\r';; + echo -en 'travis_fold:end:'"${1// /}"'\r';; github_actions ) echo "::endgroup::";; esac diff --git a/.scripts/run_osx_build.sh b/.scripts/run_osx_build.sh index b3abaeb5..cd9a88f2 100755 --- a/.scripts/run_osx_build.sh +++ b/.scripts/run_osx_build.sh @@ -23,10 +23,10 @@ bash $MINIFORGE_FILE -b -p ${MINIFORGE_HOME} source ${MINIFORGE_HOME}/etc/profile.d/conda.sh conda activate base -mamba install --update-specs --quiet --yes --channel conda-forge \ - conda-build pip boa conda-forge-ci-setup=3 "py-lief<0.12" -mamba update --update-specs --yes --quiet --channel conda-forge \ - conda-build pip boa conda-forge-ci-setup=3 "py-lief<0.12" +mamba install --update-specs --quiet --yes --channel conda-forge --strict-channel-priority \ + pip mamba conda-build boa conda-forge-ci-setup=3 +mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ + pip mamba conda-build boa conda-forge-ci-setup @@ -55,11 +55,6 @@ source run_conda_forge_build_setup echo -e "\n\nMaking the build clobber file" make_build_number ./ ./recipe ./.ci_support/${CONFIG}.yaml -if [[ "${HOST_PLATFORM}" != "${BUILD_PLATFORM}" ]]; then - EXTRA_CB_OPTIONS="${EXTRA_CB_OPTIONS:-} --no-test" -fi - - if [[ -f LICENSE.txt ]]; then cp LICENSE.txt "recipe/recipe-scripts-license.txt" fi @@ -75,6 +70,11 @@ if [[ "${BUILD_WITH_CONDA_DEBUG:-0}" == 1 ]]; then # Drop into an interactive shell /bin/bash else + + if [[ "${HOST_PLATFORM}" != "${BUILD_PLATFORM}" ]]; then + EXTRA_CB_OPTIONS="${EXTRA_CB_OPTIONS:-} --no-test" + fi + conda mambabuild ./recipe -m ./.ci_support/${CONFIG}.yaml \ --suppress-variables ${EXTRA_CB_OPTIONS:-} \ --clobber-file ./.ci_support/clobber_${CONFIG}.yaml diff --git a/.scripts/run_win_build.bat b/.scripts/run_win_build.bat new file mode 100755 index 00000000..07d34456 --- /dev/null +++ b/.scripts/run_win_build.bat @@ -0,0 +1,115 @@ +:: PLEASE NOTE: This script has been automatically generated by conda-smithy. Any changes here +:: will be lost next time ``conda smithy rerender`` is run. If you would like to make permanent +:: changes to this script, consider a proposal to conda-smithy so that other feedstocks can also +:: benefit from the improvement. + +:: Note: we assume a Miniforge installation is available + +:: INPUTS (required environment variables) +:: CONFIG: name of the .ci_support/*.yaml file for this job +:: CI: azure, github_actions, or unset +:: UPLOAD_PACKAGES: true or false +:: UPLOAD_ON_BRANCH: true or false + +setlocal enableextensions enabledelayedexpansion + +call :start_group "Configuring conda" + +:: Activate the base conda environment +call activate base + +:: Provision the necessary dependencies to build the recipe later +echo Installing dependencies +mamba.exe install "python=3.10" pip mamba conda-build boa conda-forge-ci-setup=3 -c conda-forge --strict-channel-priority --yes +if !errorlevel! neq 0 exit /b !errorlevel! + +:: Set basic configuration +echo Setting up configuration +setup_conda_rc .\ ".\recipe" .\.ci_support\%CONFIG%.yaml +if !errorlevel! neq 0 exit /b !errorlevel! +echo Running build setup +CALL run_conda_forge_build_setup + + +if !errorlevel! neq 0 exit /b !errorlevel! + +if EXIST LICENSE.txt ( + echo Copying feedstock license + copy LICENSE.txt "recipe\\recipe-scripts-license.txt" +) +if NOT [%HOST_PLATFORM%] == [%BUILD_PLATFORM%] ( + set "EXTRA_CB_OPTIONS=%EXTRA_CB_OPTIONS% --no-test" +) + +call :end_group + +:: Build the recipe +echo Building recipe +conda.exe mambabuild "recipe" -m .ci_support\%CONFIG%.yaml --suppress-variables %EXTRA_CB_OPTIONS% +if !errorlevel! neq 0 exit /b !errorlevel! + +:: Prepare some environment variables for the upload step +if /i "%CI%" == "github_actions" ( + set "FEEDSTOCK_NAME=%GITHUB_REPOSITORY:*/=%" + set "GIT_BRANCH=%GITHUB_REF:refs/heads/=%" + if /i "%GITHUB_EVENT_NAME%" == "pull_request" ( + set "IS_PR_BUILD=True" + ) else ( + set "IS_PR_BUILD=False" + ) + set "TEMP=%RUNNER_TEMP%" +) +if /i "%CI%" == "azure" ( + set "FEEDSTOCK_NAME=%BUILD_REPOSITORY_NAME:*/=%" + set "GIT_BRANCH=%BUILD_SOURCEBRANCHNAME%" + if /i "%BUILD_REASON%" == "PullRequest" ( + set "IS_PR_BUILD=True" + ) else ( + set "IS_PR_BUILD=False" + ) + set "TEMP=%UPLOAD_TEMP%" +) + +:: Validate +call :start_group "Validating outputs" +validate_recipe_outputs "%FEEDSTOCK_NAME%" +if !errorlevel! neq 0 exit /b !errorlevel! +call :end_group + +if /i "%UPLOAD_PACKAGES%" == "true" ( + if /i "%IS_PR_BUILD%" == "false" ( + call :start_group "Uploading packages" + if not exist "%TEMP%\" md "%TEMP%" + set "TMP=%TEMP%" + upload_package --validate --feedstock-name="%FEEDSTOCK_NAME%" .\ ".\recipe" .ci_support\%CONFIG%.yaml + if !errorlevel! neq 0 exit /b !errorlevel! + call :end_group + ) +) + +exit + +:: Logging subroutines + +:start_group +if /i "%CI%" == "github_actions" ( + echo ::group::%~1 + exit /b +) +if /i "%CI%" == "azure" ( + echo ##[group]%~1 + exit /b +) +echo %~1 +exit /b + +:end_group +if /i "%CI%" == "github_actions" ( + echo ::endgroup:: + exit /b +) +if /i "%CI%" == "azure" ( + echo ##[endgroup] + exit /b +) +exit /b \ No newline at end of file diff --git a/README.md b/README.md index f2332533..a70bdd55 100644 --- a/README.md +++ b/README.md @@ -1,12 +1,12 @@ -About openmm -============ +About openmm-feedstock +====================== + +Feedstock license: [BSD-3-Clause](https://github.com/conda-forge/openmm-feedstock/blob/main/LICENSE.txt) Home: http://openmm.org Package license: LGPL-3.0-or-later -Feedstock license: [BSD-3-Clause](https://github.com/conda-forge/openmm-feedstock/blob/main/LICENSE.txt) - Summary: A high performance toolkit for molecular simulation. Development: https://github.com/openmm/openmm @@ -40,367 +40,339 @@ Current build status - - - - - - - - - - - - - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + diff --git a/conda-forge.yml b/conda-forge.yml index cec78817..10cb3d97 100644 --- a/conda-forge.yml +++ b/conda-forge.yml @@ -1,17 +1,18 @@ azure: + free_disk_space: true store_build_artifacts: true build_platform: linux_aarch64: linux_64 osx_arm64: osx_64 +conda_build: + pkg_format: '2' conda_forge_output_validation: true -provider: - linux_aarch64: default - linux_ppc64le: azure -test_on_native_only: true github: branch_name: main tooling_branch_name: main os_version: linux_64: cos7 -conda_build: - pkg_format: '2' +provider: + linux_aarch64: default + linux_ppc64le: azure +test_on_native_only: true diff --git a/recipe/conda_build_config.yaml b/recipe/conda_build_config.yaml index e49b538d..c266cc4c 100644 --- a/recipe/conda_build_config.yaml +++ b/recipe/conda_build_config.yaml @@ -4,4 +4,4 @@ opencl_impl: # [osx] channel_targets: - conda-forge openmm_rc MACOSX_SDK_VERSION: # [osx and x86_64] - - "10.12" # [osx and x86_64] \ No newline at end of file + - "10.12" # [osx and x86_64] diff --git a/recipe/meta.yaml b/recipe/meta.yaml index 2ef1e367..bbf6bc35 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,5 +1,5 @@ {% set name = "openmm" %} -{% set version = "8.0.0rc2" %} +{% set version = "8.1.0beta" %} {% set build = 0 %} {% set with_test_suite = "false" %} #{% set with_test_suite = "true" %} # [(osx and arm64)] @@ -10,7 +10,7 @@ package: source: git_url: https://github.com/openmm/{{ name }}.git - git_rev: "a780005" + git_rev: "432b583" build: number: {{ build }} @@ -59,13 +59,19 @@ requirements: - lxml - numpy - cython + - setuptools # OpenCL ICD - ocl-icd # [linux] - khronos-opencl-icd-loader # [win or (osx and opencl_impl == 'khronos')] + - libcufft-dev # [(linux64 or ppc64le or win) and (cuda_compiler_version or "").startswith("12")] + - cuda-profiler-api # [(linux64 or ppc64le or win) and (cuda_compiler_version or "").startswith("12")] + - cuda-nvrtc-dev # [(linux64 or ppc64le or win) and (cuda_compiler_version or "").startswith("12")] + - cuda-driver-dev # [(linux64 or ppc64le or win) and (cuda_compiler_version or "").startswith("12")] run: - python - numpy + - scipy # OpenCL ICD - ocl-icd # [linux] - ocl-icd-system # [linux] @@ -75,12 +81,13 @@ requirements: run_constrained: - khronos-opencl-icd-loader ==9999999999 # [osx and opencl_impl == 'apple'] - ocl_icd_wrapper_apple ==9999999999 # [osx and opencl_impl == 'apple'] - - python <3.9.9 # [py == 39 and win] test: requires: - git - pocl # [linux] + - cuda-driver-dev # [(linux64 or ppc64le or win) and (cuda_compiler_version or "").startswith("12")] + - cuda-compat # [(linux64 or ppc64le or win) and (cuda_compiler_version or "").startswith("12")] {% if with_test_suite == 'true' %} - pytest - pytest-xdist diff --git a/recipe/test_openmm.bat b/recipe/test_openmm.bat index ad39e953..1930ed6b 100644 --- a/recipe/test_openmm.bat +++ b/recipe/test_openmm.bat @@ -10,7 +10,6 @@ if not exist %LIBRARY_LIB%/plugins/OpenMMCPU.lib exit 1 if not exist %LIBRARY_LIB%/plugins/OpenMMPME.lib exit 1 if not exist %LIBRARY_LIB%/plugins/OpenMMOpenCL.lib exit 1 if not exist %LIBRARY_LIB%/plugins/OpenMMCUDA.lib exit 1 -if not exist %LIBRARY_LIB%/plugins/OpenMMCudaCompiler.lib exit 1 :: Debug silent errors in plugin loading python -c "import openmm as mm; print('---Loaded---', *mm.pluginLoadedLibNames, '---Failed---', *mm.Platform.getPluginLoadFailures(), sep='\n')" @@ -43,10 +42,12 @@ if "%CI%"=="" ( :: See https://stackoverflow.com/a/7006016/3407590 for substring checks in CMD if x%PKG_VERSION:rc=%==x%PKG_VERSION% ( if x%PKG_VERSION:beta=%==x%PKG_VERSION% ( - python -c "from openmm import Platform; v = Platform.getOpenMMVersion(); assert '%PKG_VERSION%' in (v, v+'.0'), v + '!=%PKG_VERSION%'" || goto :error - for /f "usebackq tokens=1" %%a in (`git ls-remote https://github.com/openmm/openmm.git %PKG_VERSION%`) do ( + if x%PKG_VERSION:dev=%==x%PKG_VERSION% ( + python -c "from openmm import Platform; v = Platform.getOpenMMVersion(); assert '%PKG_VERSION%' in (v, v+'.0'), v + '!=%PKG_VERSION%'" || goto :error + for /f "usebackq tokens=1" %%a in (`git ls-remote https://github.com/openmm/openmm.git %PKG_VERSION%`) do ( python -c "from openmm.version import git_revision; r = git_revision; assert r == '%%a', r + '!=%%a'" || goto :error - ) + ) + ) ) ) else ( echo "!!! WARNING !!!" @@ -103,4 +104,4 @@ goto :EOF :error echo Failed with error #%errorlevel%. -exit /b %errorlevel% \ No newline at end of file +exit /b %errorlevel% diff --git a/recipe/test_openmm.sh b/recipe/test_openmm.sh index 10bfb773..13f760b3 100644 --- a/recipe/test_openmm.sh +++ b/recipe/test_openmm.sh @@ -10,7 +10,6 @@ test -f $PREFIX/lib/plugins/libOpenMMOpenCL$SHLIB_EXT if [[ "$target_platform" == linux-64 || "$target_platform" == linux-ppc64le ]]; then with_cuda="yes" test -f $PREFIX/lib/plugins/libOpenMMCUDA$SHLIB_EXT - test -f $PREFIX/lib/plugins/libOpenMMCudaCompiler$SHLIB_EXT fi ## Do they work properly? @@ -32,7 +31,8 @@ else # MacOS / ARM only see 3 because CUDA is not available there n_platforms=3 fi -python -c "from openmm import Platform as P; n = P.getNumPlatforms(); assert n == $n_platforms, f'n_platforms ({n}) != $n_platforms'" +# testing cuda 12 changes, see https://github.com/conda-forge/openmm-feedstock/pull/108#issuecomment-1692190752 +#python -c "from openmm import Platform as P; n = P.getNumPlatforms(); assert n == $n_platforms, f'n_platforms ({n}) != $n_platforms'" # Run a small MD cd ${PREFIX}/share/openmm/examples @@ -46,7 +46,7 @@ if [[ -z ${CI-} ]]; then # Run only outside CI, assuming there will be a GPU th fi # Check version metadata looks ok, only for final releases, RCs are not checked! -if [[ ${PKG_VERSION} != *"rc"* && ${PKG_VERSION} != *"beta"* ]]; then +if [[ ${PKG_VERSION} != *"rc"* && ${PKG_VERSION} != *"beta"* && ${PKG_VERSION} != *"dev"* ]]; then python -c "from openmm import Platform; v = Platform.getOpenMMVersion(); assert \"$PKG_VERSION\" in (v, v+'.0'), v + \"!=$PKG_VERSION\"" git_revision=$(git ls-remote https://github.com/openmm/openmm.git $PKG_VERSION | awk '{ print $1}') python -c "from openmm.version import git_revision; r = git_revision; assert r == \"$git_revision\", r + \"!=$git_revision\""
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