diff --git a/.azure-pipelines/azure-pipelines-linux.yml b/.azure-pipelines/azure-pipelines-linux.yml index e219fcb7..43df3b8e 100755 --- a/.azure-pipelines/azure-pipelines-linux.yml +++ b/.azure-pipelines/azure-pipelines-linux.yml @@ -8,36 +8,6 @@ jobs: vmImage: ubuntu-latest strategy: matrix: - ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython - : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h658f2fae0e - ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython - : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h54a0bf5910 - ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy - : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hd34afad97c - ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython - : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hdcdd9171d3 - ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython - : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h580b7334a4 - ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython - : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hc8bed6ac64 ? linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython : CONFIG: linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' @@ -98,36 +68,6 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 SHORT_CONFIG: linux_64_c_compiler_version12cuda_c_h6bb9447690 - ? linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython - : CONFIG: linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_aarch64_c_compiler_version10c_h445d3f332b - ? linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython - : CONFIG: linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_aarch64_c_compiler_version10c_h8621489a2f - ? linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy - : CONFIG: linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_aarch64_c_compiler_version10c_h7c4089318a - ? linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython - : CONFIG: linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_aarch64_c_compiler_version10c_h92dbec47b0 - ? linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython - : CONFIG: linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_aarch64_c_compiler_version10c_hd61fa1e672 - ? linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython - : CONFIG: linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_aarch64_c_compiler_version10c_ha9079d1e33 ? linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython : CONFIG: linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' @@ -218,8 +158,9 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h4335ef7eb5 - maxParallel: 26 + maxParallel: 23 timeoutInMinutes: 360 + variables: {} steps: - script: | diff --git a/.azure-pipelines/azure-pipelines-osx.yml b/.azure-pipelines/azure-pipelines-osx.yml index 8dfb1e2e..a2ae558a 100755 --- a/.azure-pipelines/azure-pipelines-osx.yml +++ b/.azure-pipelines/azure-pipelines-osx.yml @@ -5,7 +5,7 @@ jobs: - job: osx pool: - vmImage: macOS-11 + vmImage: macOS-12 strategy: matrix: osx_64_numpy1.22opencl_implapplepython3.10.____cpython: @@ -96,8 +96,9 @@ jobs: CONFIG: osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_arm64_numpy1.26opencl_implkhron_hfa3c7f18f5 - maxParallel: 13 + maxParallel: 17 timeoutInMinutes: 360 + variables: {} steps: # TODO: Fast finish on azure pipelines? diff --git a/.azure-pipelines/azure-pipelines-win.yml b/.azure-pipelines/azure-pipelines-win.yml index 193995f6..5db1cbdc 100755 --- a/.azure-pipelines/azure-pipelines-win.yml +++ b/.azure-pipelines/azure-pipelines-win.yml @@ -32,30 +32,6 @@ jobs: CONFIG: win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.26python3.12.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compilercuda-nvcccuda_c_h4d326a778f - win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython: - CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_hf70b5c66bb - win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython: - CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_he77ef43bcd - win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy: - CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h7849157c63 - win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython: - CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h042162825e - win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython: - CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h275b1247ec - win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython: - CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h3d2cc50094 win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.10.____cpython: CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' @@ -80,7 +56,7 @@ jobs: CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.26python3.12.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h7c89bdb50c - maxParallel: 11 + maxParallel: 9 timeoutInMinutes: 360 variables: CONDA_BLD_PATH: D:\\bld\\ diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml deleted file mode 100644 index f7c961c7..00000000 --- a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml +++ /dev/null @@ -1,39 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.2 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.10.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml deleted file mode 100644 index ab3018fc..00000000 --- a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml +++ /dev/null @@ -1,39 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.2 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.8.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml deleted file mode 100644 index 92750284..00000000 --- a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml +++ /dev/null @@ -1,39 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.2 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_73_pypy -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml deleted file mode 100644 index 40ca9da6..00000000 --- a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml +++ /dev/null @@ -1,39 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.2 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml deleted file mode 100644 index c08a4a36..00000000 --- a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml +++ /dev/null @@ -1,39 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -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: -- '1.23' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.11.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml deleted file mode 100644 index a8a53d65..00000000 --- a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml +++ /dev/null @@ -1,39 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -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: -- '1.26' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.12.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython.yaml index 937d26c5..9092f2a3 100644 --- a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -31,9 +31,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.8.____cpython.yaml index 5d492c5b..b36f53d5 100644 --- a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.8.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -31,9 +31,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____73_pypy.yaml index 8514e7e5..804ac800 100644 --- a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____73_pypy.yaml +++ b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____73_pypy.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -31,9 +31,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____cpython.yaml index 1260e17c..e949fe3d 100644 --- a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -31,9 +31,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.23python3.11.____cpython.yaml index 9df489d7..d5fb6f74 100644 --- a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.23python3.11.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -31,9 +31,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml index 66683cee..a31eb10f 100644 --- a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -31,9 +31,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml index 3eb2cbf3..aebc3ad0 100644 --- a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: @@ -31,9 +31,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml index 52deb683..2f8adf42 100644 --- a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: @@ -31,9 +31,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml index 5e1a99b2..1d5ab8a6 100644 --- a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: @@ -31,9 +31,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml index be557d91..20966fdf 100644 --- a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: @@ -31,9 +31,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml index 070b184f..a1944d0d 100644 --- a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: @@ -31,9 +31,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml index 8f536bb0..50544b90 100644 --- a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: @@ -31,9 +31,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml deleted file mode 100644 index 1d9ae9d5..00000000 --- a/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml +++ /dev/null @@ -1,43 +0,0 @@ -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 main -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.2 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.10.* *_cpython -target_platform: -- linux-aarch64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml deleted file mode 100644 index cce5f5fd..00000000 --- a/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml +++ /dev/null @@ -1,43 +0,0 @@ -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 main -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.2 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.8.* *_cpython -target_platform: -- linux-aarch64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml deleted file mode 100644 index c7376adb..00000000 --- a/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml +++ /dev/null @@ -1,43 +0,0 @@ -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 main -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.2 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_73_pypy -target_platform: -- linux-aarch64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml deleted file mode 100644 index 13a225ff..00000000 --- a/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml +++ /dev/null @@ -1,43 +0,0 @@ -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 main -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.2 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -target_platform: -- linux-aarch64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml deleted file mode 100644 index 725eebaa..00000000 --- a/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml +++ /dev/null @@ -1,43 +0,0 @@ -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 main -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: -- '1.23' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.11.* *_cpython -target_platform: -- linux-aarch64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml deleted file mode 100644 index 8bb04aef..00000000 --- a/.ci_support/linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml +++ /dev/null @@ -1,43 +0,0 @@ -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 main -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: -- '1.26' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.12.* *_cpython -target_platform: -- linux-aarch64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython.yaml index 4b7b6e67..c1abaf7a 100644 --- a/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.8.____cpython.yaml index cde40ff3..11da1249 100644 --- a/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.8.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.8.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____73_pypy.yaml index 3f49f6eb..70277aa1 100644 --- a/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____73_pypy.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____73_pypy.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____cpython.yaml index 3e93b3b5..a4c2e092 100644 --- a/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.23python3.11.____cpython.yaml index 33ef8387..4b36bc11 100644 --- a/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.23python3.11.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml index 916fb014..4d5d00b2 100644 --- a/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython.yaml index 70f7f6c4..37146174 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython.yaml index 5fe6d884..2346254b 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml index cc7cf4be..ae492c52 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython.yaml index ea1de3d8..121e4e77 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython.yaml index b1bb2a19..dce4f3d6 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython.yaml index 63dab40d..55666c9b 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml index 638181f4..dfd58da1 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml index 15d166cd..c3f2eec0 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml index a8152ff9..1a2b7880 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml index d4df15dd..a282eb84 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml index 3ce90617..0b3276ff 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml index 935e79a6..969d050e 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: @@ -35,9 +35,9 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cdt_name - cuda_compiler - cuda_compiler_version - - cdt_name - docker_image - - python - numpy diff --git a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml index 80da407a..d6a7019c 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml @@ -1,7 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' MACOSX_SDK_VERSION: -- '10.12' +- '10.13' c_compiler: - clang c_compiler_version: @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml index 75f91e6c..f28737e3 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml @@ -1,7 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' MACOSX_SDK_VERSION: -- '10.12' +- '10.13' c_compiler: - clang c_compiler_version: @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml index 1e8208da..73782328 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml @@ -1,7 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' MACOSX_SDK_VERSION: -- '10.12' +- '10.13' c_compiler: - clang c_compiler_version: @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml index b7bd0404..050ee795 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml @@ -1,7 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' MACOSX_SDK_VERSION: -- '10.12' +- '10.13' c_compiler: - clang c_compiler_version: @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml index a453b092..ce2b6146 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml @@ -1,7 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' MACOSX_SDK_VERSION: -- '10.12' +- '10.13' c_compiler: - clang c_compiler_version: @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml index 554ffe12..407ec3ff 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml @@ -1,7 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' MACOSX_SDK_VERSION: -- '10.12' +- '10.13' c_compiler: - clang c_compiler_version: @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml index 92b2dfae..b4fbac81 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml @@ -1,7 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' MACOSX_SDK_VERSION: -- '10.12' +- '10.13' c_compiler: - clang c_compiler_version: @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml index 6cb15c3a..0dda8967 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml @@ -1,7 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' MACOSX_SDK_VERSION: -- '10.12' +- '10.13' c_compiler: - clang c_compiler_version: @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml b/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml index daebd59a..f39f7063 100644 --- a/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml @@ -1,7 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' MACOSX_SDK_VERSION: -- '10.12' +- '10.13' c_compiler: - clang c_compiler_version: @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml b/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml index e754c7ec..47e2e805 100644 --- a/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml @@ -1,7 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' MACOSX_SDK_VERSION: -- '10.12' +- '10.13' c_compiler: - clang c_compiler_version: @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_64_numpy1.26opencl_implapplepython3.12.____cpython.yaml b/.ci_support/osx_64_numpy1.26opencl_implapplepython3.12.____cpython.yaml index 6da957f5..32bc785f 100644 --- a/.ci_support/osx_64_numpy1.26opencl_implapplepython3.12.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.26opencl_implapplepython3.12.____cpython.yaml @@ -1,7 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' MACOSX_SDK_VERSION: -- '10.12' +- '10.13' c_compiler: - clang c_compiler_version: @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml b/.ci_support/osx_64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml index 3e3be533..9db4699b 100644 --- a/.ci_support/osx_64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml @@ -1,7 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' MACOSX_SDK_VERSION: -- '10.12' +- '10.13' c_compiler: - clang c_compiler_version: @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml index ceb9b86d..52b12110 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml @@ -1,5 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: - '11.0' +MACOSX_SDK_VERSION: +- '11.0' c_compiler: - clang c_compiler_version: @@ -7,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml index 008f70ca..b916d0dc 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml @@ -1,5 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: - '11.0' +MACOSX_SDK_VERSION: +- '11.0' c_compiler: - clang c_compiler_version: @@ -7,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml index f34269d1..4cb6dbff 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml @@ -1,5 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: - '11.0' +MACOSX_SDK_VERSION: +- '11.0' c_compiler: - clang c_compiler_version: @@ -7,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml index aa61b56d..db0d953c 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml @@ -1,5 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: - '11.0' +MACOSX_SDK_VERSION: +- '11.0' c_compiler: - clang c_compiler_version: @@ -7,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml index 38d155b9..8537c36d 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml @@ -1,5 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: - '11.0' +MACOSX_SDK_VERSION: +- '11.0' c_compiler: - clang c_compiler_version: @@ -7,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml index 9ada9eef..f9af5166 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml @@ -1,5 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: - '11.0' +MACOSX_SDK_VERSION: +- '11.0' c_compiler: - clang c_compiler_version: @@ -7,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml b/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml index 3140d9db..572633ce 100644 --- a/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml @@ -1,5 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: - '11.0' +MACOSX_SDK_VERSION: +- '11.0' c_compiler: - clang c_compiler_version: @@ -7,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml b/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml index decceae9..70aeec44 100644 --- a/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml @@ -1,5 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: - '11.0' +MACOSX_SDK_VERSION: +- '11.0' c_compiler: - clang c_compiler_version: @@ -7,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython.yaml b/.ci_support/osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython.yaml index 609a2cb0..e8c28de7 100644 --- a/.ci_support/osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython.yaml @@ -1,5 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: - '11.0' +MACOSX_SDK_VERSION: +- '11.0' c_compiler: - clang c_compiler_version: @@ -7,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml b/.ci_support/osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml index 47a9d049..6604a4f1 100644 --- a/.ci_support/osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml @@ -1,5 +1,7 @@ MACOSX_DEPLOYMENT_TARGET: - '11.0' +MACOSX_SDK_VERSION: +- '11.0' c_compiler: - clang c_compiler_version: @@ -7,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - None cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.10.____cpython.yaml b/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.10.____cpython.yaml index 53cf4342..5d76c0de 100644 --- a/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.10.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.8.____cpython.yaml index d281ffd9..e11866f0 100644 --- a/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.8.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.9.____73_pypy.yaml b/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.9.____73_pypy.yaml index 906be9bc..606c1bfa 100644 --- a/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.9.____73_pypy.yaml +++ b/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.9.____73_pypy.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.9.____cpython.yaml index 13ee4de9..8b492614 100644 --- a/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.22python3.9.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.23python3.11.____cpython.yaml index ac1c290d..10cebffb 100644 --- a/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.23python3.11.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.26python3.12.____cpython.yaml b/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.26python3.12.____cpython.yaml index dd9ea625..a9d9f8fb 100644 --- a/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilercuda-nvcccuda_compiler_version12.0numpy1.26python3.12.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - cuda-nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython.yaml deleted file mode 100644 index 12bdc623..00000000 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython.yaml +++ /dev/null @@ -1,27 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- vs2019 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.10.* *_cpython -target_platform: -- win-64 -zip_keys: -- - cuda_compiler - - cuda_compiler_version -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython.yaml deleted file mode 100644 index 8d3209d4..00000000 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython.yaml +++ /dev/null @@ -1,27 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- vs2019 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.8.* *_cpython -target_platform: -- win-64 -zip_keys: -- - cuda_compiler - - cuda_compiler_version -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy.yaml deleted file mode 100644 index 7bb8dd15..00000000 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy.yaml +++ /dev/null @@ -1,27 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- vs2019 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_73_pypy -target_platform: -- win-64 -zip_keys: -- - cuda_compiler - - cuda_compiler_version -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython.yaml deleted file mode 100644 index bee35453..00000000 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython.yaml +++ /dev/null @@ -1,27 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- vs2019 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -target_platform: -- win-64 -zip_keys: -- - cuda_compiler - - cuda_compiler_version -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml deleted file mode 100644 index f16ac6ff..00000000 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml +++ /dev/null @@ -1,27 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- vs2019 -numpy: -- '1.23' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.11.* *_cpython -target_platform: -- win-64 -zip_keys: -- - cuda_compiler - - cuda_compiler_version -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython.yaml deleted file mode 100644 index 7b87f0e2..00000000 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython.yaml +++ /dev/null @@ -1,27 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- vs2019 -numpy: -- '1.26' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.12.* *_cpython -target_platform: -- win-64 -zip_keys: -- - cuda_compiler - - cuda_compiler_version -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.10.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.10.____cpython.yaml index effd1472..1290e48c 100644 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.10.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.8.____cpython.yaml index 11b58e03..b4076d79 100644 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.8.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.9.____73_pypy.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.9.____73_pypy.yaml index 2a8f9075..5f034b83 100644 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.9.____73_pypy.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.9.____73_pypy.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.9.____cpython.yaml index 4351d1d2..78fae131 100644 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.9.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.23python3.11.____cpython.yaml index 251921dc..2e989a7f 100644 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.23python3.11.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.26python3.12.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.26python3.12.____cpython.yaml index 14338abd..f6283dc7 100644 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.26python3.12.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.gitattributes b/.gitattributes index 7f327638..18f114a1 100644 --- a/.gitattributes +++ b/.gitattributes @@ -20,8 +20,8 @@ bld.bat text eol=crlf .travis.yml linguist-generated=true .scripts/* linguist-generated=true .woodpecker.yml linguist-generated=true -LICENSE.txt linguist-generated=true -README.md linguist-generated=true +/LICENSE.txt linguist-generated=true +/README.md linguist-generated=true azure-pipelines.yml linguist-generated=true build-locally.py linguist-generated=true shippable.yml linguist-generated=true diff --git a/.scripts/build_steps.sh b/.scripts/build_steps.sh index beda247e..a5836e8d 100755 --- a/.scripts/build_steps.sh +++ b/.scripts/build_steps.sh @@ -34,9 +34,9 @@ CONDARC export CONDA_LIBMAMBA_SOLVER_NO_CHANNELS_FROM_INSTALLED=1 mamba install --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ - pip mamba conda-build boa conda-forge-ci-setup=4 + pip mamba conda-build conda-forge-ci-setup=4 "conda-build>=24.1" mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ - pip mamba conda-build boa conda-forge-ci-setup=4 + pip mamba conda-build conda-forge-ci-setup=4 "conda-build>=24.1" # set up the condarc setup_conda_rc "${FEEDSTOCK_ROOT}" "${RECIPE_ROOT}" "${CONFIG_FILE}" @@ -68,10 +68,17 @@ if [[ "${BUILD_WITH_CONDA_DEBUG:-0}" == 1 ]]; then # Drop into an interactive shell /bin/bash else - conda mambabuild "${RECIPE_ROOT}" -m "${CI_SUPPORT}/${CONFIG}.yaml" \ + conda-build "${RECIPE_ROOT}" -m "${CI_SUPPORT}/${CONFIG}.yaml" \ --suppress-variables ${EXTRA_CB_OPTIONS:-} \ --clobber-file "${CI_SUPPORT}/clobber_${CONFIG}.yaml" \ --extra-meta flow_run_id="${flow_run_id:-}" remote_url="${remote_url:-}" sha="${sha:-}" + + ( startgroup "Inspecting artifacts" ) 2> /dev/null + + # inspect_artifacts was only added in conda-forge-ci-setup 4.6.0 + command -v inspect_artifacts >/dev/null 2>&1 && inspect_artifacts || echo "inspect_artifacts needs conda-forge-ci-setup >=4.6.0" + + ( endgroup "Inspecting artifacts" ) 2> /dev/null ( startgroup "Validating outputs" ) 2> /dev/null validate_recipe_outputs "${FEEDSTOCK_NAME}" diff --git a/.scripts/run_osx_build.sh b/.scripts/run_osx_build.sh index 9259eb93..ba0c8791 100755 --- a/.scripts/run_osx_build.sh +++ b/.scripts/run_osx_build.sh @@ -26,9 +26,9 @@ export CONDA_SOLVER="libmamba" export CONDA_LIBMAMBA_SOLVER_NO_CHANNELS_FROM_INSTALLED=1 mamba install --update-specs --quiet --yes --channel conda-forge --strict-channel-priority \ - pip mamba conda-build boa conda-forge-ci-setup=4 + pip mamba conda-build conda-forge-ci-setup=4 "conda-build>=24.1" mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ - pip mamba conda-build boa conda-forge-ci-setup=4 + pip mamba conda-build conda-forge-ci-setup=4 "conda-build>=24.1" @@ -81,10 +81,17 @@ else EXTRA_CB_OPTIONS="${EXTRA_CB_OPTIONS:-} --no-test" fi - conda mambabuild ./recipe -m ./.ci_support/${CONFIG}.yaml \ + conda-build ./recipe -m ./.ci_support/${CONFIG}.yaml \ --suppress-variables ${EXTRA_CB_OPTIONS:-} \ --clobber-file ./.ci_support/clobber_${CONFIG}.yaml \ --extra-meta flow_run_id="$flow_run_id" remote_url="$remote_url" sha="$sha" + + ( startgroup "Inspecting artifacts" ) 2> /dev/null + + # inspect_artifacts was only added in conda-forge-ci-setup 4.6.0 + command -v inspect_artifacts >/dev/null 2>&1 && inspect_artifacts || echo "inspect_artifacts needs conda-forge-ci-setup >=4.6.0" + + ( endgroup "Inspecting artifacts" ) 2> /dev/null ( startgroup "Validating outputs" ) 2> /dev/null validate_recipe_outputs "${FEEDSTOCK_NAME}" diff --git a/.scripts/run_win_build.bat b/.scripts/run_win_build.bat index 48734de9..65650bf2 100755 --- a/.scripts/run_win_build.bat +++ b/.scripts/run_win_build.bat @@ -24,7 +24,7 @@ set "CONDA_LIBMAMBA_SOLVER_NO_CHANNELS_FROM_INSTALLED=1" :: Provision the necessary dependencies to build the recipe later echo Installing dependencies -mamba.exe install "python=3.10" pip mamba conda-build boa conda-forge-ci-setup=4 -c conda-forge --strict-channel-priority --yes +mamba.exe install "python=3.10" pip mamba conda-build conda-forge-ci-setup=4 "conda-build>=24.1" -c conda-forge --strict-channel-priority --yes if !errorlevel! neq 0 exit /b !errorlevel! :: Set basic configuration @@ -55,9 +55,14 @@ call :end_group :: Build the recipe echo Building recipe -conda.exe mambabuild "recipe" -m .ci_support\%CONFIG%.yaml --suppress-variables %EXTRA_CB_OPTIONS% +conda-build.exe "recipe" -m .ci_support\%CONFIG%.yaml --suppress-variables %EXTRA_CB_OPTIONS% if !errorlevel! neq 0 exit /b !errorlevel! +call :start_group "Inspecting artifacts" +:: inspect_artifacts was only added in conda-forge-ci-setup 4.6.0 +WHERE inspect_artifacts >nul 2>nul && inspect_artifacts || echo "inspect_artifacts needs conda-forge-ci-setup >=4.6.0" +call :end_group + :: Prepare some environment variables for the upload step if /i "%CI%" == "github_actions" ( set "FEEDSTOCK_NAME=%GITHUB_REPOSITORY:*/=%" diff --git a/README.md b/README.md index 772ce7a6..d7d398ce 100644 --- a/README.md +++ b/README.md @@ -40,48 +40,6 @@ Current build status - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
VariantStatus
linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython - - variant - -
linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython - - variant - -
linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy - - variant - -
linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython - - variant - -
linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython - - variant - -
linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython - - variant - -
linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython @@ -165,48 +123,6 @@ Current build status variant
linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython - - variant - -
linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython - - variant - -
linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy - - variant - -
linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython - - variant - -
linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython - - variant - -
linux_aarch64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython - - variant - -
linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython @@ -529,48 +445,6 @@ Current build status variant
win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython - - variant - -
win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython - - variant - -
win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy - - variant - -
win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython - - variant - -
win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython - - variant - -
win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython - - variant - -
win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.10.____cpython @@ -631,14 +505,14 @@ Current release info Installing openmm ================= -Installing `openmm` from the `conda-forge` channel can be achieved by adding `conda-forge` to your channels with: +Installing `openmm` from the `conda-forge/label/openmm_rc` channel can be achieved by adding `conda-forge/label/openmm_rc` to your channels with: ``` -conda config --add channels conda-forge +conda config --add channels conda-forge/label/openmm_rc conda config --set channel_priority strict ``` -Once the `conda-forge` channel has been enabled, `openmm` can be installed with `conda`: +Once the `conda-forge/label/openmm_rc` channel has been enabled, `openmm` can be installed with `conda`: ``` conda install openmm @@ -653,26 +527,26 @@ 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 +conda search openmm --channel conda-forge/label/openmm_rc ``` or with `mamba`: ``` -mamba search openmm --channel conda-forge +mamba search openmm --channel conda-forge/label/openmm_rc ``` Alternatively, `mamba repoquery` may provide more information: ``` # Search all versions available on your platform: -mamba repoquery search openmm --channel conda-forge +mamba repoquery search openmm --channel conda-forge/label/openmm_rc # List packages depending on `openmm`: -mamba repoquery whoneeds openmm --channel conda-forge +mamba repoquery whoneeds openmm --channel conda-forge/label/openmm_rc # List dependencies of `openmm`: -mamba repoquery depends openmm --channel conda-forge +mamba repoquery depends openmm --channel conda-forge/label/openmm_rc ``` diff --git a/azure-pipelines.yml b/azure-pipelines.yml index 6b346f50..e5306da9 100644 --- a/azure-pipelines.yml +++ b/azure-pipelines.yml @@ -4,5 +4,5 @@ jobs: - template: ./.azure-pipelines/azure-pipelines-linux.yml - - template: ./.azure-pipelines/azure-pipelines-win.yml - - template: ./.azure-pipelines/azure-pipelines-osx.yml \ No newline at end of file + - template: ./.azure-pipelines/azure-pipelines-osx.yml + - template: ./.azure-pipelines/azure-pipelines-win.yml \ No newline at end of file diff --git a/build-locally.py b/build-locally.py index 3f4b7a79..e0d408d0 100755 --- a/build-locally.py +++ b/build-locally.py @@ -64,8 +64,9 @@ def verify_config(ns): 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=SDKs' " - "to download the SDK automatically to 'SDKs/MacOSX.sdk'. " + "Need OSX_SDK_DIR env variable set. Run 'export OSX_SDK_DIR=$PWD/SDKs' " + "to download the SDK automatically to '$PWD/SDKs/MacOSX.sdk'. " + "Note: OSX_SDK_DIR must be set to an absolute path. " "Setting this variable implies agreement to the licensing terms of the SDK by Apple." ) diff --git a/recipe/conda_build_config.yaml b/recipe/conda_build_config.yaml index 75dcb2d9..c266cc4c 100644 --- a/recipe/conda_build_config.yaml +++ b/recipe/conda_build_config.yaml @@ -2,6 +2,6 @@ opencl_impl: # [osx] - apple # [osx] - khronos # [osx] channel_targets: -- conda-forge main +- conda-forge openmm_rc MACOSX_SDK_VERSION: # [osx and x86_64] - "10.12" # [osx and x86_64] diff --git a/recipe/meta.yaml b/recipe/meta.yaml index f2283709..67a62374 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,6 +1,6 @@ {% set name = "openmm" %} -{% set version = "8.1.1" %} -{% set build = 1 %} +{% set version = "8.1.2" %} +{% set build = 0 %} {% set with_test_suite = "false" %} #{% set with_test_suite = "true" %} # [(osx and arm64)] @@ -16,7 +16,7 @@ package: source: git_url: https://github.com/openmm/{{ name }}.git - git_rev: "ec797ac" + git_rev: "440a9c7" build: number: {{ build }}