diff --git a/.azure-pipelines/azure-pipelines-linux.yml b/.azure-pipelines/azure-pipelines-linux.yml index 4711dcae..1f1a9e0d 100755 --- a/.azure-pipelines/azure-pipelines-linux.yml +++ b/.azure-pipelines/azure-pipelines-linux.yml @@ -8,106 +8,132 @@ jobs: vmImage: ubuntu-latest strategy: matrix: - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.7.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.7.____cpython + linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h57c7de21e1 - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.8.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.8.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hba4c860a1a + linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h8349c27b91 + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_he878b87cd0 + linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h9c93f6eb74 + linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hfd4fbc9561 + 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 + 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_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hc24dab8746 + linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h9e2f447dc5 + linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h1d358c3c27 + linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hed6b790be5 + 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 + 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_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy: CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h7423c086a8 + linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython: + CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 + SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h82793cd7ea + linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython: + CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 + SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h8c60c41cc3 linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython: CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_hc8c3f43499 - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.7.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.7.____cpython + 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-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h970f009565 - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.8.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.8.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h0ce387f731 + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 + SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h172a199072 linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy: CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_hcba064f835 + linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython: + CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 + SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h2af77520fd + linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython: + CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 + SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h41ee2a991b linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython: CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_hdd93569955 - linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.18python3.7.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.18python3.7.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h8a7061952d - linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.18python3.8.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.18python3.8.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h553e5e67fe - linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.19python3.7.____73_pypy: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.19python3.7.____73_pypy - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h92635bf5f1 - linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.19python3.9.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.19python3.9.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h820de5e120 - linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.18python3.7.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.18python3.7.____cpython + 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:11.2 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h91a74499ef - linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.18python3.8.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.18python3.8.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_hc8875b616c - linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.19python3.7.____73_pypy: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.19python3.7.____73_pypy - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_ha6a83f8e7c - linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.19python3.9.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.19python3.9.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h59eee509b1 - linux_aarch64_numpy1.18python3.7.____cpython: - CONFIG: linux_aarch64_numpy1.18python3.7.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-aarch64 - SHORT_CONFIG: linux_aarch64_numpy1.18python3.7.____cpython - linux_aarch64_numpy1.18python3.8.____cpython: - CONFIG: linux_aarch64_numpy1.18python3.8.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-aarch64 - SHORT_CONFIG: linux_aarch64_numpy1.18python3.8.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 + SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h97cf3b29ee linux_aarch64_numpy1.19python3.7.____73_pypy: CONFIG: linux_aarch64_numpy1.19python3.7.____73_pypy UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-aarch64 + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 SHORT_CONFIG: linux_aarch64_numpy1.19python3.7.____73_pypy + linux_aarch64_numpy1.19python3.7.____cpython: + CONFIG: linux_aarch64_numpy1.19python3.7.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_numpy1.19python3.7.____cpython + linux_aarch64_numpy1.19python3.8.____cpython: + CONFIG: linux_aarch64_numpy1.19python3.8.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_numpy1.19python3.8.____cpython linux_aarch64_numpy1.19python3.9.____cpython: CONFIG: linux_aarch64_numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-aarch64 + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 SHORT_CONFIG: linux_aarch64_numpy1.19python3.9.____cpython + linux_aarch64_numpy1.21python3.10.____cpython: + CONFIG: linux_aarch64_numpy1.21python3.10.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_numpy1.21python3.10.____cpython + maxParallel: 24 timeoutInMinutes: 360 steps: diff --git a/.azure-pipelines/azure-pipelines-osx.yml b/.azure-pipelines/azure-pipelines-osx.yml index 2e33653e..4dea0363 100755 --- a/.azure-pipelines/azure-pipelines-osx.yml +++ b/.azure-pipelines/azure-pipelines-osx.yml @@ -8,26 +8,18 @@ jobs: vmImage: macOS-10.15 strategy: matrix: - osx_64_numpy1.18opencl_implapplepython3.7.____cpython: - CONFIG: osx_64_numpy1.18opencl_implapplepython3.7.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.18opencl_implapplepyt_h827c50c310 - osx_64_numpy1.18opencl_implapplepython3.8.____cpython: - CONFIG: osx_64_numpy1.18opencl_implapplepython3.8.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.18opencl_implapplepyt_hda91864ca4 - osx_64_numpy1.18opencl_implkhronospython3.7.____cpython: - CONFIG: osx_64_numpy1.18opencl_implkhronospython3.7.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.18opencl_implkhronosp_h3ef5131a6f - osx_64_numpy1.18opencl_implkhronospython3.8.____cpython: - CONFIG: osx_64_numpy1.18opencl_implkhronospython3.8.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.18opencl_implkhronosp_h4d0fbe84e1 osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy: CONFIG: osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_64_numpy1.19opencl_implapplepyt_h7ce1dd6275 + osx_64_numpy1.19opencl_implapplepython3.7.____cpython: + CONFIG: osx_64_numpy1.19opencl_implapplepython3.7.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.19opencl_implapplepyt_h0afc153fc8 + osx_64_numpy1.19opencl_implapplepython3.8.____cpython: + CONFIG: osx_64_numpy1.19opencl_implapplepython3.8.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.19opencl_implapplepyt_h044988d856 osx_64_numpy1.19opencl_implapplepython3.9.____cpython: CONFIG: osx_64_numpy1.19opencl_implapplepython3.9.____cpython UPLOAD_PACKAGES: 'True' @@ -36,26 +28,51 @@ jobs: CONFIG: osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_64_numpy1.19opencl_implkhronosp_h8f345da7e0 + osx_64_numpy1.19opencl_implkhronospython3.7.____cpython: + CONFIG: osx_64_numpy1.19opencl_implkhronospython3.7.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.19opencl_implkhronosp_he0ae06a9e4 + osx_64_numpy1.19opencl_implkhronospython3.8.____cpython: + CONFIG: osx_64_numpy1.19opencl_implkhronospython3.8.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.19opencl_implkhronosp_h1c9ea6b919 osx_64_numpy1.19opencl_implkhronospython3.9.____cpython: CONFIG: osx_64_numpy1.19opencl_implkhronospython3.9.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_64_numpy1.19opencl_implkhronosp_h8e02932fe5 - osx_arm64_opencl_implapplepython3.8.____cpython: - CONFIG: osx_arm64_opencl_implapplepython3.8.____cpython + osx_64_numpy1.21opencl_implapplepython3.10.____cpython: + CONFIG: osx_64_numpy1.21opencl_implapplepython3.10.____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 + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.21opencl_implkhronosp_h0bc6add440 + osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython: + CONFIG: osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_arm64_numpy1.19opencl_implapple_ha87088636f + osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython: + CONFIG: osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_arm64_numpy1.19opencl_implapple_h861258c607 + osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython: + CONFIG: osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_opencl_implapplepython3.8.____cpython - osx_arm64_opencl_implapplepython3.9.____cpython: - CONFIG: osx_arm64_opencl_implapplepython3.9.____cpython + SHORT_CONFIG: osx_arm64_numpy1.19opencl_implkhron_h9da2f8ebb4 + osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython: + CONFIG: osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_opencl_implapplepython3.9.____cpython - osx_arm64_opencl_implkhronospython3.8.____cpython: - CONFIG: osx_arm64_opencl_implkhronospython3.8.____cpython + SHORT_CONFIG: osx_arm64_numpy1.19opencl_implkhron_h781083cf47 + osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython: + CONFIG: osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_opencl_implkhronospython3_h4b612e3b76 - osx_arm64_opencl_implkhronospython3.9.____cpython: - CONFIG: osx_arm64_opencl_implkhronospython3.9.____cpython + SHORT_CONFIG: osx_arm64_numpy1.21opencl_implapple_h0fc8446d3b + osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython: + CONFIG: osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_opencl_implkhronospython3_h9a3867e632 + SHORT_CONFIG: osx_arm64_numpy1.21opencl_implkhron_h1b495945d9 + maxParallel: 15 timeoutInMinutes: 360 steps: diff --git a/.azure-pipelines/azure-pipelines-win.yml b/.azure-pipelines/azure-pipelines-win.yml index b9ac0c33..f80f7943 100755 --- a/.azure-pipelines/azure-pipelines-win.yml +++ b/.azure-pipelines/azure-pipelines-win.yml @@ -8,99 +8,81 @@ jobs: vmImage: windows-2019 strategy: matrix: - win_64_cuda_compiler_version10.2numpy1.18python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.18python3.7.____cpython + win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython: + CONFIG: win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_he2b926deb3 - win_64_cuda_compiler_version10.2numpy1.18python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.18python3.8.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version10.2num_hf580deaa48 + win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython: + CONFIG: win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_hf921f21a33 + SHORT_CONFIG: win_64_cuda_compiler_version10.2num_hffe94ff147 win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython: CONFIG: win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compiler_version10.2num_hfd851b7be2 - win_64_cuda_compiler_version11.0numpy1.18python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.18python3.7.____cpython + win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython: + CONFIG: win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_hf8be621d26 - win_64_cuda_compiler_version11.0numpy1.18python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.18python3.8.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h7988b3b7d1 + win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython: + CONFIG: win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h98fac7104a + SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h0b869159d7 win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython: CONFIG: win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h70fffaf8a7 - win_64_cuda_compiler_version11.1numpy1.18python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.18python3.7.____cpython + win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython: + CONFIG: win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_h9be781f57b - win_64_cuda_compiler_version11.1numpy1.18python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.18python3.8.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version11.1num_h360ae9e970 + win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython: + CONFIG: win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_h62882df1dc + SHORT_CONFIG: win_64_cuda_compiler_version11.1num_ha556998785 win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython: CONFIG: win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compiler_version11.1num_hceadb1a9ac - win_64_cuda_compiler_version11.2numpy1.18python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.18python3.7.____cpython + win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython: + CONFIG: win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_hea75ba6b7e - win_64_cuda_compiler_version11.2numpy1.18python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.18python3.8.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version11.2num_h377648b46a + win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython: + CONFIG: win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_hcdbe8cdfc4 + SHORT_CONFIG: win_64_cuda_compiler_version11.2num_hc277f77dfb win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython: CONFIG: win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compiler_version11.2num_h9e115fdbdb + maxParallel: 11 timeoutInMinutes: 360 variables: CONDA_BLD_PATH: D:\\bld\\ steps: - - script: | - choco install vcpython27 -fdv -y --debug - condition: contains(variables['CONFIG'], 'vs2008') - displayName: Install vcpython27.msi (if needed) - - # Cygwin's git breaks conda-build. (See https://github.com/conda-forge/conda-smithy-feedstock/pull/2.) - # - script: rmdir C:\cygwin /s /q - # continueOnError: true - - - powershell: | - Set-PSDebug -Trace 1 - - $batchcontent = @" - ECHO ON - SET vcpython=C:\Program Files (x86)\Common Files\Microsoft\Visual C++ for Python\9.0 - - DIR "%vcpython%" - - CALL "%vcpython%\vcvarsall.bat" %* - "@ - - $batchDir = "C:\Program Files (x86)\Common Files\Microsoft\Visual C++ for Python\9.0\VC" - $batchPath = "$batchDir" + "\vcvarsall.bat" - New-Item -Path $batchPath -ItemType "file" -Force - - Set-Content -Value $batchcontent -Path $batchPath - - Get-ChildItem -Path $batchDir + - task: PythonScript@0 + displayName: 'Download Miniforge' + inputs: + scriptSource: inline + script: | + import urllib.request + url = 'https://github.com/conda-forge/miniforge/releases/latest/download/Mambaforge-Windows-x86_64.exe' + path = r"$(Build.ArtifactStagingDirectory)/Miniforge.exe" + urllib.request.urlretrieve(url, path) - Get-ChildItem -Path ($batchDir + '\..') + - script: | + start /wait "" %BUILD_ARTIFACTSTAGINGDIRECTORY%\Miniforge.exe /InstallationType=JustMe /RegisterPython=0 /S /D=C:\Miniforge + displayName: Install Miniforge - condition: contains(variables['CONFIG'], 'vs2008') - displayName: Patch vs2008 (if needed) + - powershell: Write-Host "##vso[task.prependpath]C:\Miniforge\Scripts" + displayName: Add conda to PATH - - task: CondaEnvironment@1 - inputs: - packageSpecs: 'python=3.9 conda-build conda "conda-forge-ci-setup=3" pip boa' # Optional - installOptions: "-c conda-forge" - updateConda: true - displayName: Install conda-build and activate environment + - script: | + call activate base + mamba.exe install 'python=3.9' conda-build conda pip boa 'conda-forge-ci-setup=3' -c conda-forge --strict-channel-priority --yes + displayName: Install conda-build - script: set PYTHONUNBUFFERED=1 displayName: Set PYTHONUNBUFFERED @@ -117,25 +99,16 @@ jobs: call activate base run_conda_forge_build_setup displayName: conda-forge build setup - - - # Special cased version setting some more things! - - script: | - call activate base - conda.exe build "recipe" -m .ci_support\%CONFIG%.yaml - displayName: Build recipe (vs2008) - env: - VS90COMNTOOLS: "C:\\Program Files (x86)\\Common Files\\Microsoft\\Visual C++ for Python\\9.0\\VC\\bin" - PYTHONUNBUFFERED: 1 - condition: contains(variables['CONFIG'], 'vs2008') - script: | call activate base + if EXIST LICENSE.txt ( + copy LICENSE.txt "recipe\\recipe-scripts-license.txt" + ) conda.exe mambabuild "recipe" -m .ci_support\%CONFIG%.yaml --suppress-variables displayName: Build recipe env: PYTHONUNBUFFERED: 1 - condition: not(contains(variables['CONFIG'], 'vs2008')) - script: | set CI=azure set CI_RUN_ID=$(build.BuildNumber).$(system.JobAttempt) diff --git a/.ci_support/README b/.ci_support/README index e4e2dcec..a47316be 100644 --- a/.ci_support/README +++ b/.ci_support/README @@ -1 +1,6 @@ -This file is automatically generated by conda-smithy. To change any matrix elements, you should change conda-smithy's input conda_build_config.yaml and re-render the recipe, rather than editing these files directly. \ No newline at end of file +This file is automatically generated by conda-smithy. If any +particular build configuration is expected, but it is not found, +please make sure all dependencies are satisfiable. To add/modify any +matrix elements, you should create/change conda-smithy's input +recipe/conda_build_config.yaml and re-render the recipe, rather than +editing these files directly. diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml similarity index 92% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml index 3aaae039..e5530944 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '9' +- '10' cdt_name: - cos7 channel_sources: @@ -15,16 +15,12 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '9' +- '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.1 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.18python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython.yaml similarity index 90% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.18python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython.yaml index 883fac08..6ef1e293 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '9' +- '10' cdt_name: - cos7 channel_sources: @@ -15,16 +15,12 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '9' +- '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.1 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.18python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython.yaml similarity index 90% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.18python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython.yaml index 8a690f84..19c0cd9f 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '9' +- '10' cdt_name: - cos7 channel_sources: @@ -15,16 +15,12 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '9' +- '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.1 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython.yaml similarity index 92% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.19python3.9.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython.yaml index 663f237c..0690e69d 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.1cxx_compiler_version9numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '9' +- '10' cdt_name: - cos7 channel_sources: @@ -15,16 +15,12 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '9' +- '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.1 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x 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 new file mode 100644 index 00000000..8fc3a74f --- /dev/null +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython.yaml @@ -0,0 +1,38 @@ +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_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml similarity index 92% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml index d90c0cf8..eefb600f 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '9' +- '10' cdt_name: - cos7 channel_sources: @@ -15,16 +15,12 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '9' +- '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.18python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython.yaml similarity index 90% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.18python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython.yaml index a3399c9a..fd8d1bc6 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '9' +- '10' cdt_name: - cos7 channel_sources: @@ -15,16 +15,12 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '9' +- '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.18python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython.yaml similarity index 90% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.18python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython.yaml index 605cec38..25f079cc 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '9' +- '10' cdt_name: - cos7 channel_sources: @@ -15,16 +15,12 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '9' +- '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython.yaml similarity index 92% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.19python3.9.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython.yaml index 26f228bb..5b243593 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.2cxx_compiler_version9numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '9' +- '10' cdt_name: - cos7 channel_sources: @@ -15,16 +15,12 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '9' +- '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x 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_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython.yaml new file mode 100644 index 00000000..839b09d4 --- /dev/null +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython.yaml @@ -0,0 +1,38 @@ +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: +- '1.21' +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_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml index 5f38f7ce..3bdd073f 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml @@ -3,7 +3,7 @@ c_compiler: c_compiler_version: - '7' cdt_name: -- cos6 +- cos7 channel_sources: - conda-forge channel_targets: @@ -18,13 +18,9 @@ cxx_compiler_version: - '7' docker_image: - quay.io/condaforge/linux-anvil-cos7-cuda:10.2 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml similarity index 91% rename from .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml index 2f1be0b7..5c770473 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: c_compiler_version: - '7' cdt_name: -- cos6 +- cos7 channel_sources: - conda-forge channel_targets: @@ -18,13 +18,9 @@ cxx_compiler_version: - '7' docker_image: - quay.io/condaforge/linux-anvil-cos7-cuda:10.2 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml similarity index 91% rename from .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml index 8510b28c..2fa1454d 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: c_compiler_version: - '7' cdt_name: -- cos6 +- cos7 channel_sources: - conda-forge channel_targets: @@ -18,13 +18,9 @@ cxx_compiler_version: - '7' docker_image: - quay.io/condaforge/linux-anvil-cos7-cuda:10.2 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml index 9e54262f..fea80e5a 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: c_compiler_version: - '7' cdt_name: -- cos6 +- cos7 channel_sources: - conda-forge channel_targets: @@ -18,13 +18,9 @@ cxx_compiler_version: - '7' docker_image: - quay.io/condaforge/linux-anvil-cos7-cuda:10.2 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x 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_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml new file mode 100644 index 00000000..106c2643 --- /dev/null +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml @@ -0,0 +1,38 @@ +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: +- '1.21' +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_version9numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml index 5d6ac1af..4ab0fbe6 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml +++ b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml @@ -18,13 +18,9 @@ cxx_compiler_version: - '9' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.0 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython.yaml similarity index 92% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython.yaml index 63168694..2a00f16a 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython.yaml @@ -18,13 +18,9 @@ cxx_compiler_version: - '9' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.0 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython.yaml similarity index 92% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython.yaml index 31a38547..72498db9 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython.yaml @@ -18,13 +18,9 @@ cxx_compiler_version: - '9' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.0 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython.yaml index 3354ffc9..31a19ef9 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython.yaml @@ -18,13 +18,9 @@ cxx_compiler_version: - '9' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.0 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x 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 new file mode 100644 index 00000000..95244d4d --- /dev/null +++ b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython.yaml @@ -0,0 +1,38 @@ +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_aarch64_numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_aarch64_numpy1.19python3.7.____73_pypy.yaml index 9a7151ce..b7977c7d 100644 --- a/.ci_support/linux_aarch64_numpy1.19python3.7.____73_pypy.yaml +++ b/.ci_support/linux_aarch64_numpy1.19python3.7.____73_pypy.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '9' +- '10' cdt_arch: - aarch64 cdt_name: @@ -17,16 +17,12 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '9' +- '10' docker_image: -- quay.io/condaforge/linux-anvil-aarch64 -fftw: -- '3' +- quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.18python3.7.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.19python3.7.____cpython.yaml similarity index 84% rename from .ci_support/linux_aarch64_numpy1.18python3.7.____cpython.yaml rename to .ci_support/linux_aarch64_numpy1.19python3.7.____cpython.yaml index 167d4336..775143f0 100644 --- a/.ci_support/linux_aarch64_numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/linux_aarch64_numpy1.19python3.7.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '9' +- '10' cdt_arch: - aarch64 cdt_name: @@ -17,16 +17,12 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '9' +- '10' docker_image: -- quay.io/condaforge/linux-anvil-aarch64 -fftw: -- '3' +- quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.18python3.8.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.19python3.8.____cpython.yaml similarity index 84% rename from .ci_support/linux_aarch64_numpy1.18python3.8.____cpython.yaml rename to .ci_support/linux_aarch64_numpy1.19python3.8.____cpython.yaml index 36730cc1..edd657c0 100644 --- a/.ci_support/linux_aarch64_numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/linux_aarch64_numpy1.19python3.8.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '9' +- '10' cdt_arch: - aarch64 cdt_name: @@ -17,16 +17,12 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '9' +- '10' docker_image: -- quay.io/condaforge/linux-anvil-aarch64 -fftw: -- '3' +- quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.19python3.9.____cpython.yaml index f00a49ca..6fa6703f 100644 --- a/.ci_support/linux_aarch64_numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_aarch64_numpy1.19python3.9.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '9' +- '10' cdt_arch: - aarch64 cdt_name: @@ -17,16 +17,12 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '9' +- '10' docker_image: -- quay.io/condaforge/linux-anvil-aarch64 -fftw: -- '3' +- quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml new file mode 100644 index 00000000..121470de --- /dev/null +++ b/.ci_support/linux_aarch64_numpy1.21python3.10.____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: +- None +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.21' +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/migrations/python310.yaml b/.ci_support/migrations/python310.yaml new file mode 100644 index 00000000..c31e9914 --- /dev/null +++ b/.ci_support/migrations/python310.yaml @@ -0,0 +1,34 @@ +migrator_ts: 1634137107 +__migrator: + migration_number: 1 + operation: key_add + primary_key: python + ordering: + python: + - 3.6.* *_cpython + - 3.7.* *_cpython + - 3.8.* *_cpython + - 3.9.* *_cpython + - 3.10.* *_cpython # new entry + - 3.6.* *_73_pypy + - 3.7.* *_73_pypy + paused: false + longterm: True + pr_limit: 40 + max_solver_attempts: 10 # this will make the bot retry "not solvable" stuff 10 times + exclude: + # this shouldn't attempt to modify the python feedstocks + - python + - pypy3.6 + - pypy-meta + - cross-python + - python_abi + exclude_pinned_pkgs: false + +python: + - 3.10.* *_cpython +# additional entries to add for zip_keys +numpy: + - 1.21 +python_impl: + - cpython diff --git a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy.yaml b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy.yaml index abc30acc..03dc8519 100644 --- a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy.yaml @@ -1,9 +1,11 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '11' +- '13' channel_sources: - conda-forge channel_targets: @@ -13,9 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '11' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: @@ -23,8 +23,6 @@ numpy: opencl_impl: - apple pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.18opencl_implapplepython3.7.____cpython.yaml b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____cpython.yaml similarity index 89% rename from .ci_support/osx_64_numpy1.18opencl_implapplepython3.7.____cpython.yaml rename to .ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____cpython.yaml index e839515c..a7151094 100644 --- a/.ci_support/osx_64_numpy1.18opencl_implapplepython3.7.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____cpython.yaml @@ -1,9 +1,11 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '11' +- '13' channel_sources: - conda-forge channel_targets: @@ -13,18 +15,14 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '11' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.18' +- '1.19' opencl_impl: - apple pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.18opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.8.____cpython.yaml similarity index 89% rename from .ci_support/osx_64_numpy1.18opencl_implapplepython3.8.____cpython.yaml rename to .ci_support/osx_64_numpy1.19opencl_implapplepython3.8.____cpython.yaml index 6f8a819c..8382ea02 100644 --- a/.ci_support/osx_64_numpy1.18opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.8.____cpython.yaml @@ -1,9 +1,11 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '11' +- '13' channel_sources: - conda-forge channel_targets: @@ -13,18 +15,14 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '11' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.18' +- '1.19' opencl_impl: - apple pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.9.____cpython.yaml index d20a3235..21f6309a 100644 --- a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.9.____cpython.yaml @@ -1,9 +1,11 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '11' +- '13' channel_sources: - conda-forge channel_targets: @@ -13,9 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '11' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: @@ -23,8 +23,6 @@ numpy: opencl_impl: - apple pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy.yaml b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy.yaml index 82cfacbc..fbd5500a 100644 --- a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy.yaml @@ -1,9 +1,11 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '11' +- '13' channel_sources: - conda-forge channel_targets: @@ -13,9 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '11' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: @@ -23,8 +23,6 @@ numpy: opencl_impl: - khronos pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.18opencl_implkhronospython3.7.____cpython.yaml b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____cpython.yaml similarity index 89% rename from .ci_support/osx_64_numpy1.18opencl_implkhronospython3.7.____cpython.yaml rename to .ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____cpython.yaml index 9d6c9b88..812ecd1d 100644 --- a/.ci_support/osx_64_numpy1.18opencl_implkhronospython3.7.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____cpython.yaml @@ -1,9 +1,11 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '11' +- '13' channel_sources: - conda-forge channel_targets: @@ -13,18 +15,14 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '11' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.18' +- '1.19' opencl_impl: - khronos pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.18opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml similarity index 89% rename from .ci_support/osx_64_numpy1.18opencl_implkhronospython3.8.____cpython.yaml rename to .ci_support/osx_64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml index 40f42c98..dd07037a 100644 --- a/.ci_support/osx_64_numpy1.18opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml @@ -1,9 +1,11 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '11' +- '13' channel_sources: - conda-forge channel_targets: @@ -13,18 +15,14 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '11' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.18' +- '1.19' opencl_impl: - khronos pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml index 227c08c6..ea050967 100644 --- a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml @@ -1,9 +1,11 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '11' +- '13' channel_sources: - conda-forge channel_targets: @@ -13,9 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '11' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: @@ -23,8 +23,6 @@ numpy: opencl_impl: - khronos pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml new file mode 100644 index 00000000..4bf33b20 --- /dev/null +++ b/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml @@ -0,0 +1,37 @@ +MACOSX_DEPLOYMENT_TARGET: +- '10.9' +MACOSX_SDK_VERSION: +- '10.12' +c_compiler: +- clang +c_compiler_version: +- '13' +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- clangxx +cxx_compiler_version: +- '13' +macos_machine: +- x86_64-apple-darwin13.4.0 +numpy: +- '1.21' +opencl_impl: +- apple +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.10.* *_cpython +target_platform: +- osx-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version +- - python + - numpy diff --git a/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml new file mode 100644 index 00000000..fd47407e --- /dev/null +++ b/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml @@ -0,0 +1,37 @@ +MACOSX_DEPLOYMENT_TARGET: +- '10.9' +MACOSX_SDK_VERSION: +- '10.12' +c_compiler: +- clang +c_compiler_version: +- '13' +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- clangxx +cxx_compiler_version: +- '13' +macos_machine: +- x86_64-apple-darwin13.4.0 +numpy: +- '1.21' +opencl_impl: +- khronos +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.10.* *_cpython +target_platform: +- osx-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version +- - python + - numpy diff --git a/.ci_support/osx_arm64_opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython.yaml similarity index 91% rename from .ci_support/osx_arm64_opencl_implapplepython3.8.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython.yaml index 683a0852..d79c0fdc 100644 --- a/.ci_support/osx_arm64_opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '11' +- '13' channel_sources: - conda-forge channel_targets: @@ -13,9 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '11' -fftw: -- '3' +- '13' macos_machine: - arm64-apple-darwin20.0.0 numpy: @@ -23,8 +21,6 @@ numpy: opencl_impl: - apple pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_arm64_opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython.yaml similarity index 91% rename from .ci_support/osx_arm64_opencl_implapplepython3.9.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython.yaml index 30ee3777..7d88a7d5 100644 --- a/.ci_support/osx_arm64_opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '11' +- '13' channel_sources: - conda-forge channel_targets: @@ -13,9 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '11' -fftw: -- '3' +- '13' macos_machine: - arm64-apple-darwin20.0.0 numpy: @@ -23,8 +21,6 @@ numpy: opencl_impl: - apple pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_arm64_opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml similarity index 91% rename from .ci_support/osx_arm64_opencl_implkhronospython3.8.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml index 6e2400e7..d8618194 100644 --- a/.ci_support/osx_arm64_opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '11' +- '13' channel_sources: - conda-forge channel_targets: @@ -13,9 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '11' -fftw: -- '3' +- '13' macos_machine: - arm64-apple-darwin20.0.0 numpy: @@ -23,8 +21,6 @@ numpy: opencl_impl: - khronos pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_arm64_opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml similarity index 91% rename from .ci_support/osx_arm64_opencl_implkhronospython3.9.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml index 318da68e..3a35c067 100644 --- a/.ci_support/osx_arm64_opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '11' +- '13' channel_sources: - conda-forge channel_targets: @@ -13,9 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '11' -fftw: -- '3' +- '13' macos_machine: - arm64-apple-darwin20.0.0 numpy: @@ -23,8 +21,6 @@ numpy: opencl_impl: - khronos pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml new file mode 100644 index 00000000..3c6db7d8 --- /dev/null +++ b/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml @@ -0,0 +1,35 @@ +MACOSX_DEPLOYMENT_TARGET: +- '11.0' +c_compiler: +- clang +c_compiler_version: +- '13' +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- clangxx +cxx_compiler_version: +- '13' +macos_machine: +- arm64-apple-darwin20.0.0 +numpy: +- '1.21' +opencl_impl: +- apple +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.10.* *_cpython +target_platform: +- osx-arm64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version +- - python + - numpy diff --git a/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml new file mode 100644 index 00000000..c01c7822 --- /dev/null +++ b/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml @@ -0,0 +1,35 @@ +MACOSX_DEPLOYMENT_TARGET: +- '11.0' +c_compiler: +- clang +c_compiler_version: +- '13' +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- clangxx +cxx_compiler_version: +- '13' +macos_machine: +- arm64-apple-darwin20.0.0 +numpy: +- '1.21' +opencl_impl: +- khronos +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.10.* *_cpython +target_platform: +- osx-arm64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version +- - python + - numpy diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.18python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython.yaml similarity index 87% rename from .ci_support/win_64_cuda_compiler_version10.2numpy1.18python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython.yaml index 0d61139e..9ee3c79e 100644 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython.yaml @@ -10,13 +10,9 @@ cuda_compiler_version: - '10.2' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.18python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython.yaml similarity index 87% rename from .ci_support/win_64_cuda_compiler_version10.2numpy1.18python3.8.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython.yaml index d186bcf2..6866899b 100644 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython.yaml @@ -10,13 +10,9 @@ cuda_compiler_version: - '10.2' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython.yaml index 9b3c93cd..7f5cb650 100644 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython.yaml @@ -10,13 +10,9 @@ cuda_compiler_version: - '10.2' cxx_compiler: - vs2017 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.18python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython.yaml similarity index 87% rename from .ci_support/win_64_cuda_compiler_version11.0numpy1.18python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython.yaml index 91bfb8ce..6baddf01 100644 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython.yaml @@ -10,13 +10,9 @@ cuda_compiler_version: - '11.0' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.18python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython.yaml similarity index 87% rename from .ci_support/win_64_cuda_compiler_version11.0numpy1.18python3.8.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython.yaml index 1aa8a11d..f73d7259 100644 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython.yaml @@ -10,13 +10,9 @@ cuda_compiler_version: - '11.0' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython.yaml index aa3d8d4f..a2eac4e1 100644 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython.yaml @@ -10,13 +10,9 @@ cuda_compiler_version: - '11.0' cxx_compiler: - vs2017 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.18python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython.yaml similarity index 87% rename from .ci_support/win_64_cuda_compiler_version11.1numpy1.18python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython.yaml index 5d907b48..7eb0eb1c 100644 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython.yaml @@ -10,13 +10,9 @@ cuda_compiler_version: - '11.1' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.18python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython.yaml similarity index 87% rename from .ci_support/win_64_cuda_compiler_version11.1numpy1.18python3.8.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython.yaml index c5824feb..ae3336f9 100644 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython.yaml @@ -10,13 +10,9 @@ cuda_compiler_version: - '11.1' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython.yaml index 1d51285e..131de21b 100644 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython.yaml @@ -10,13 +10,9 @@ cuda_compiler_version: - '11.1' cxx_compiler: - vs2017 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.18python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython.yaml similarity index 87% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.18python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython.yaml index 97dee698..64484d8b 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython.yaml @@ -10,13 +10,9 @@ cuda_compiler_version: - '11.2' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.18python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython.yaml similarity index 87% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.18python3.8.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython.yaml index 36ecbdc3..53f78e68 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython.yaml @@ -10,13 +10,9 @@ cuda_compiler_version: - '11.2' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython.yaml index 5fef04c5..7f246a7b 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython.yaml @@ -10,13 +10,9 @@ cuda_compiler_version: - '11.2' cxx_compiler: - vs2017 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.circleci/config.yml b/.circleci/config.yml index 6ad461b8..3e61aa24 100644 --- a/.circleci/config.yml +++ b/.circleci/config.yml @@ -7,7 +7,8 @@ version: 2 jobs: build: working_directory: ~/test - machine: true + machine: + image: ubuntu-2004:current steps: - run: # The Circle-CI build should not be active, but if this is not true for some reason, do a fast finish. diff --git a/.gitattributes b/.gitattributes index ce52713a..7f327638 100644 --- a/.gitattributes +++ b/.gitattributes @@ -9,6 +9,7 @@ bld.bat text eol=crlf # github helper pieces to make some files not show up in diffs automatically .azure-pipelines/* linguist-generated=true .circleci/* linguist-generated=true +.ci_support/README linguist-generated=true .drone/* linguist-generated=true .drone.yml linguist-generated=true .github/* linguist-generated=true diff --git a/.github/CODEOWNERS b/.github/CODEOWNERS index b1ba8ab4..99ba51ba 100644 --- a/.github/CODEOWNERS +++ b/.github/CODEOWNERS @@ -1 +1 @@ -* @jaimergp @jchodera @peastman \ No newline at end of file +* @jaimergp @jchodera @mikemhenry @peastman \ No newline at end of file diff --git a/.github/workflows/automerge.yml b/.github/workflows/automerge.yml index f79fe856..773b3d12 100644 --- a/.github/workflows/automerge.yml +++ b/.github/workflows/automerge.yml @@ -13,7 +13,7 @@ jobs: uses: actions/checkout@v2 - name: automerge-action id: automerge-action - uses: conda-forge/automerge-action@master + uses: conda-forge/automerge-action@main with: github_token: ${{ secrets.GITHUB_TOKEN }} rerendering_github_token: ${{ secrets.RERENDERING_GITHUB_TOKEN }} diff --git a/.github/workflows/webservices.yml b/.github/workflows/webservices.yml index 2e5fe71f..d6f06b5c 100644 --- a/.github/workflows/webservices.yml +++ b/.github/workflows/webservices.yml @@ -7,7 +7,7 @@ jobs: steps: - name: webservices id: webservices - uses: conda-forge/webservices-dispatch-action@master + uses: conda-forge/webservices-dispatch-action@main with: github_token: ${{ secrets.GITHUB_TOKEN }} rerendering_github_token: ${{ secrets.RERENDERING_GITHUB_TOKEN }} diff --git a/.scripts/build_steps.sh b/.scripts/build_steps.sh index b3d5b819..a6b09f6b 100755 --- a/.scripts/build_steps.sh +++ b/.scripts/build_steps.sh @@ -24,13 +24,18 @@ export CONFIG_FILE="${CI_SUPPORT}/${CONFIG}.yaml" cat >~/.condarc < /dev/null +if [[ -f "${FEEDSTOCK_ROOT}/LICENSE.txt" ]]; then + cp "${FEEDSTOCK_ROOT}/LICENSE.txt" "${RECIPE_ROOT}/recipe-scripts-license.txt" +fi + if [[ "${BUILD_WITH_CONDA_DEBUG:-0}" == 1 ]]; then if [[ "x${BUILD_OUTPUT_ID:-}" != "x" ]]; then EXTRA_CB_OPTIONS="${EXTRA_CB_OPTIONS:-} --output-id ${BUILD_OUTPUT_ID}" diff --git a/.scripts/run_docker_build.sh b/.scripts/run_docker_build.sh index 0c6515fc..92362398 100755 --- a/.scripts/run_docker_build.sh +++ b/.scripts/run_docker_build.sh @@ -14,7 +14,7 @@ set -xeo pipefail THISDIR="$( cd "$( dirname "$0" )" >/dev/null && pwd )" PROVIDER_DIR="$(basename $THISDIR)" -FEEDSTOCK_ROOT=$(cd "$(dirname "$0")/.."; pwd;) +FEEDSTOCK_ROOT="$( cd "$( dirname "$0" )/.." >/dev/null && pwd )" RECIPE_ROOT="${FEEDSTOCK_ROOT}/recipe" if [ -z ${FEEDSTOCK_NAME} ]; then diff --git a/.scripts/run_osx_build.sh b/.scripts/run_osx_build.sh index 6774b01e..736a39a0 100755 --- a/.scripts/run_osx_build.sh +++ b/.scripts/run_osx_build.sh @@ -23,9 +23,11 @@ bash $MINIFORGE_FILE -b -p ${MINIFORGE_HOME} source ${MINIFORGE_HOME}/etc/profile.d/conda.sh conda activate base -echo -e "\n\nInstalling conda-forge-ci-setup=3 and conda-build." -mamba install -n base --update-specs --quiet --yes "conda-forge-ci-setup=3" conda-build pip boa -mamba update -n base --update-specs --quiet --yes "conda-forge-ci-setup=3" conda-build pip boa +echo -e "\n\nInstalling ['conda-forge-ci-setup=3'] and conda-build." +mamba install --update-specs --quiet --yes --channel conda-forge \ + conda-build pip boa conda-forge-ci-setup=3 +mamba update --update-specs --yes --quiet --channel conda-forge \ + conda-build pip boa conda-forge-ci-setup=3 @@ -51,7 +53,6 @@ source run_conda_forge_build_setup ( endgroup "Configuring conda" ) 2> /dev/null - echo -e "\n\nMaking the build clobber file" make_build_number ./ ./recipe ./.ci_support/${CONFIG}.yaml @@ -59,17 +60,36 @@ 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 --clobber-file ./.ci_support/clobber_${CONFIG}.yaml ${EXTRA_CB_OPTIONS:-} -( startgroup "Validating outputs" ) 2> /dev/null -validate_recipe_outputs "${FEEDSTOCK_NAME}" +if [[ -f LICENSE.txt ]]; then + cp LICENSE.txt "recipe/recipe-scripts-license.txt" +fi -( endgroup "Validating outputs" ) 2> /dev/null +if [[ "${BUILD_WITH_CONDA_DEBUG:-0}" == 1 ]]; then + if [[ "x${BUILD_OUTPUT_ID:-}" != "x" ]]; then + EXTRA_CB_OPTIONS="${EXTRA_CB_OPTIONS:-} --output-id ${BUILD_OUTPUT_ID}" + fi + conda debug ./recipe -m ./.ci_support/${CONFIG}.yaml \ + ${EXTRA_CB_OPTIONS:-} \ + --clobber-file ./.ci_support/clobber_${CONFIG}.yaml -( startgroup "Uploading packages" ) 2> /dev/null + # Drop into an interactive shell + /bin/bash +else + conda mambabuild ./recipe -m ./.ci_support/${CONFIG}.yaml \ + --suppress-variables ${EXTRA_CB_OPTIONS:-} \ + --clobber-file ./.ci_support/clobber_${CONFIG}.yaml + ( startgroup "Validating outputs" ) 2> /dev/null -if [[ "${UPLOAD_PACKAGES}" != "False" ]] && [[ "${IS_PR_BUILD}" == "False" ]]; then - upload_package --validate --feedstock-name="${FEEDSTOCK_NAME}" ./ ./recipe ./.ci_support/${CONFIG}.yaml -fi + validate_recipe_outputs "${FEEDSTOCK_NAME}" + + ( endgroup "Validating outputs" ) 2> /dev/null + + ( startgroup "Uploading packages" ) 2> /dev/null + + if [[ "${UPLOAD_PACKAGES}" != "False" ]] && [[ "${IS_PR_BUILD}" == "False" ]]; then + upload_package --validate --feedstock-name="${FEEDSTOCK_NAME}" ./ ./recipe ./.ci_support/${CONFIG}.yaml + fi -( endgroup "Uploading packages" ) 2> /dev/null \ No newline at end of file + ( endgroup "Uploading packages" ) 2> /dev/null +fi \ No newline at end of file diff --git a/LICENSE.txt b/LICENSE.txt index ed3f451e..2ec51d75 100644 --- a/LICENSE.txt +++ b/LICENSE.txt @@ -1,13 +1,27 @@ -BSD 3-clause license -Copyright (c) 2015-2021, conda-forge contributors +BSD-3-Clause license +Copyright (c) 2015-2022, conda-forge contributors All rights reserved. -Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: +Redistribution and use in source and binary forms, with or without +modification, are permitted provided that the following conditions are met: -1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. + 1. Redistributions of source code must retain the above copyright notice, + this list of conditions and the following disclaimer. + 2. Redistributions in binary form must reproduce the above copyright + notice, this list of conditions and the following disclaimer in the + documentation and/or other materials provided with the distribution. + 3. Neither the name of the copyright holder nor the names of its + contributors may be used to endorse or promote products derived from + this software without specific prior written permission. -2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. - -3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. - -THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. +THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" +AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE +IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE +ARE DISCLAIMED. IN NO EVENT SHALL THE REGENTS OR CONTRIBUTORS BE LIABLE FOR +ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL +DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR +SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER +CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT +LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY +OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH +DAMAGE. diff --git a/README.md b/README.md index ef5687f2..b6caa9db 100644 --- a/README.md +++ b/README.md @@ -5,7 +5,7 @@ Home: http://openmm.org Package license: LGPL-3.0-or-later -Feedstock license: [BSD-3-Clause](https://github.com/conda-forge/openmm-feedstock/blob/master/LICENSE.txt) +Feedstock license: [BSD-3-Clause](https://github.com/conda-forge/openmm-feedstock/blob/main/LICENSE.txt) Summary: A high performance toolkit for molecular simulation. @@ -33,318 +33,381 @@ Current build status
- - + + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + + + + - + - + - + - + + + + + + + + + + + + + + + + + + + + + + - + - + - + - + - + - + + + + - + - + - + - + - + - + @@ -372,18 +435,43 @@ conda config --add channels conda-forge conda config --set channel_priority strict ``` -Once the `conda-forge` channel has been enabled, `openmm` can be installed with: +Once the `conda-forge` channel has been enabled, `openmm` can be installed with `conda`: ``` conda install openmm ``` -It is possible to list all of the versions of `openmm` available on your platform with: +or with `mamba`: + +``` +mamba install openmm +``` + +It is possible to list all of the versions of `openmm` available on your platform with `conda`: ``` conda search openmm --channel conda-forge ``` +or with `mamba`: + +``` +mamba search openmm --channel conda-forge +``` + +Alternatively, `mamba repoquery` may provide more information: + +``` +# Search all versions available on your platform: +mamba repoquery search openmm --channel conda-forge + +# List packages depending on `openmm`: +mamba repoquery whoneeds openmm --channel conda-forge + +# List dependencies of `openmm`: +mamba repoquery depends openmm --channel conda-forge +``` + About conda-forge ================= @@ -399,10 +487,12 @@ for each of the installable packages. Such a repository is known as a *feedstock A feedstock is made up of a conda recipe (the instructions on what and how to build the package) and the necessary configurations for automatic building using freely available continuous integration services. Thanks to the awesome service provided by -[CircleCI](https://circleci.com/), [AppVeyor](https://www.appveyor.com/) -and [TravisCI](https://travis-ci.com/) it is possible to build and upload installable -packages to the [conda-forge](https://anaconda.org/conda-forge) -[Anaconda-Cloud](https://anaconda.org/) channel for Linux, Windows and OSX respectively. +[Azure](https://azure.microsoft.com/en-us/services/devops/), [GitHub](https://github.com/), +[CircleCI](https://circleci.com/), [AppVeyor](https://www.appveyor.com/), +[Drone](https://cloud.drone.io/welcome), and [TravisCI](https://travis-ci.com/) +it is possible to build and upload installable packages to the +[conda-forge](https://anaconda.org/conda-forge) [Anaconda-Cloud](https://anaconda.org/) +channel for Linux, Windows and OSX respectively. To manage the continuous integration and simplify feedstock maintenance [conda-smithy](https://github.com/conda-forge/conda-smithy) has been developed. @@ -451,5 +541,6 @@ Feedstock Maintainers * [@jaimergp](https://github.com/jaimergp/) * [@jchodera](https://github.com/jchodera/) +* [@mikemhenry](https://github.com/mikemhenry/) * [@peastman](https://github.com/peastman/) diff --git a/build-locally.py b/build-locally.py index 8b743489..3f4b7a79 100755 --- a/build-locally.py +++ b/build-locally.py @@ -22,10 +22,6 @@ def setup_environment(ns): os.environ["MINIFORGE_HOME"] = os.path.join( os.path.dirname(__file__), "miniforge3" ) - if "OSX_SDK_DIR" not in os.environ: - os.environ["OSX_SDK_DIR"] = os.path.join( - os.path.dirname(__file__), "SDKs" - ) def run_docker_build(ns): @@ -65,11 +61,12 @@ def verify_config(ns): raise ValueError( f"only Linux/macOS configs currently supported, got {ns.config}" ) - elif ns.config.startswith("osx") and platform.system() == "Darwin": + elif ns.config.startswith("osx"): if "OSX_SDK_DIR" not in os.environ: raise RuntimeError( - "Need OSX_SDK_DIR env variable set. Run 'export OSX_SDK_DIR=/opt'" - "to download the SDK automatically to '/opt/MacOSX.sdk'" + "Need OSX_SDK_DIR env variable set. Run 'export OSX_SDK_DIR=SDKs' " + "to download the SDK automatically to 'SDKs/MacOSX.sdk'. " + "Setting this variable implies agreement to the licensing terms of the SDK by Apple." ) @@ -89,12 +86,19 @@ def main(args=None): verify_config(ns) setup_environment(ns) - if ns.config.startswith("linux") or ( - ns.config.startswith("osx") and platform.system() == "Linux" - ): - run_docker_build(ns) - elif ns.config.startswith("osx"): - run_osx_build(ns) + try: + if ns.config.startswith("linux") or ( + ns.config.startswith("osx") and platform.system() == "Linux" + ): + run_docker_build(ns) + elif ns.config.startswith("osx"): + run_osx_build(ns) + finally: + recipe_license_file = os.path.join( + "recipe", "recipe-scripts-license.txt" + ) + if os.path.exists(recipe_license_file): + os.remove(recipe_license_file) if __name__ == "__main__": diff --git a/conda-forge.yml b/conda-forge.yml index 1ea688da..55195776 100644 --- a/conda-forge.yml +++ b/conda-forge.yml @@ -1,5 +1,15 @@ -azure: {store_build_artifacts: true} -build_platform: {osx_arm64: osx_64} +azure: + store_build_artifacts: true +build_platform: + linux_aarch64: linux_64 + osx_arm64: osx_64 conda_forge_output_validation: true -provider: {linux_aarch64: default, linux_ppc64le: azure} +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 diff --git a/recipe/conda_build_config.yaml b/recipe/conda_build_config.yaml index 45d64e52..e49b538d 100644 --- a/recipe/conda_build_config.yaml +++ b/recipe/conda_build_config.yaml @@ -3,3 +3,5 @@ opencl_impl: # [osx] - khronos # [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 diff --git a/recipe/meta.yaml b/recipe/meta.yaml index a266884a..093797b6 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,5 +1,5 @@ {% set name = "openmm" %} -{% set version = "7.7.0rc1" %} +{% set version = "8.0.0beta" %} {% set build = 0 %} {% set with_test_suite = "false" %} {% set with_test_suite = "true" %} # [(osx and arm64)] @@ -10,14 +10,14 @@ package: source: git_url: https://github.com/openmm/{{ name }}.git - git_rev: "92c6dbb" + git_rev: "1dac981" build: number: {{ build }} string: "py{{ PY_VER.replace('.', '') }}h{{ PKG_HASH }}_{{ build }}_{{ opencl_impl }}" # [osx] track_features: # make Apple OpenCL low priority - openmm_opencl_apple # [osx and (opencl_impl == 'apple')] - skip: true # [(cuda_compiler_version in (undefined, 'None') and (linux64 or win)) or ((cuda_compiler_version != '10.2') and (ppc64le))] + skip: true # [(win and py==310) or (cuda_compiler_version in (undefined, 'None') and (linux64 or win)) or ((cuda_compiler_version != '10.2') and (ppc64le))] script_env: - CONFIG - CUDA_HOME # [ppc64le] @@ -40,6 +40,7 @@ requirements: - {{ compiler('cxx') }} - {{ compiler('cuda') }} # [linux64 or ppc64le or win] - {{ cdt('mesa-libgl-devel') }} # [linux] + - sysroot_linux-64 2.17 # [linux64] - cmake - make # [unix] - jom # [win] @@ -53,7 +54,6 @@ requirements: host: - python - - fftw - swig - pthread-stubs - lxml @@ -65,7 +65,6 @@ requirements: run: - python - - fftw - numpy # OpenCL ICD - ocl-icd # [linux] @@ -76,6 +75,7 @@ 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: @@ -117,6 +117,7 @@ about: extra: recipe-maintainers: + - mikemhenry - jchodera - jaimergp - peastman diff --git a/recipe/test_openmm.sh b/recipe/test_openmm.sh index 0a9976f3..10bfb773 100644 --- a/recipe/test_openmm.sh +++ b/recipe/test_openmm.sh @@ -20,7 +20,7 @@ python -c "import openmm as mm; print('---Loaded---', *mm.pluginLoadedLibNames, python -c "import os, openmm.version as v; print(v.openmm_library_path); assert os.path.isdir(v.openmm_library_path), 'Directory does not exist'" # Check all platforms -if [[ "$target_platform" == linux-ppc64le ]]; then +if [[ "$target_platform" == linux-ppc64le || "$target_platform" == linux-aarch64 ]]; then python -m openmm.testInstallation || true # OpenCL will fail but that's ok else python -m openmm.testInstallation
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