diff --git a/.azure-pipelines/azure-pipelines-linux.yml b/.azure-pipelines/azure-pipelines-linux.yml index 851cd92..63297b3 100755 --- a/.azure-pipelines/azure-pipelines-linux.yml +++ b/.azure-pipelines/azure-pipelines-linux.yml @@ -8,67 +8,53 @@ jobs: vmImage: ubuntu-latest strategy: matrix: - linux_64_numpy1.22python3.10.____cpython: - CONFIG: linux_64_numpy1.22python3.10.____cpython + linux_64_python3.10.____cpython: + CONFIG: linux_64_python3.10.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_64_numpy1.22python3.10.____cpython - linux_64_numpy1.22python3.9.____cpython: - CONFIG: linux_64_numpy1.22python3.9.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9 + SHORT_CONFIG: linux_64_python3.10.____cpython + linux_64_python3.11.____cpython: + CONFIG: linux_64_python3.11.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_64_numpy1.22python3.9.____cpython - linux_64_numpy1.23python3.11.____cpython: - CONFIG: linux_64_numpy1.23python3.11.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9 + SHORT_CONFIG: linux_64_python3.11.____cpython + linux_64_python3.12.____cpython: + CONFIG: linux_64_python3.12.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_64_numpy1.23python3.11.____cpython - linux_64_numpy1.26python3.12.____cpython: - CONFIG: linux_64_numpy1.26python3.12.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9 + SHORT_CONFIG: linux_64_python3.12.____cpython + linux_aarch64_python3.10.____cpython: + CONFIG: linux_aarch64_python3.10.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_64_numpy1.26python3.12.____cpython - linux_aarch64_numpy1.22python3.10.____cpython: - CONFIG: linux_aarch64_numpy1.22python3.10.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9 + SHORT_CONFIG: linux_aarch64_python3.10.____cpython + linux_aarch64_python3.11.____cpython: + CONFIG: linux_aarch64_python3.11.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.22python3.10.____cpython - linux_aarch64_numpy1.22python3.9.____cpython: - CONFIG: linux_aarch64_numpy1.22python3.9.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9 + SHORT_CONFIG: linux_aarch64_python3.11.____cpython + linux_aarch64_python3.12.____cpython: + CONFIG: linux_aarch64_python3.12.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.22python3.9.____cpython - linux_aarch64_numpy1.23python3.11.____cpython: - CONFIG: linux_aarch64_numpy1.23python3.11.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9 + SHORT_CONFIG: linux_aarch64_python3.12.____cpython + linux_ppc64le_python3.10.____cpython: + CONFIG: linux_ppc64le_python3.10.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.23python3.11.____cpython - linux_aarch64_numpy1.26python3.12.____cpython: - CONFIG: linux_aarch64_numpy1.26python3.12.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9 + SHORT_CONFIG: linux_ppc64le_python3.10.____cpython + linux_ppc64le_python3.11.____cpython: + CONFIG: linux_ppc64le_python3.11.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.26python3.12.____cpython - linux_ppc64le_numpy1.22python3.10.____cpython: - CONFIG: linux_ppc64le_numpy1.22python3.10.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9 + SHORT_CONFIG: linux_ppc64le_python3.11.____cpython + linux_ppc64le_python3.12.____cpython: + CONFIG: linux_ppc64le_python3.12.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_ppc64le_numpy1.22python3.10.____cpython - linux_ppc64le_numpy1.22python3.9.____cpython: - CONFIG: linux_ppc64le_numpy1.22python3.9.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_ppc64le_numpy1.22python3.9.____cpython - linux_ppc64le_numpy1.23python3.11.____cpython: - CONFIG: linux_ppc64le_numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_ppc64le_numpy1.23python3.11.____cpython - linux_ppc64le_numpy1.26python3.12.____cpython: - CONFIG: linux_ppc64le_numpy1.26python3.12.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_ppc64le_numpy1.26python3.12.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9 + SHORT_CONFIG: linux_ppc64le_python3.12.____cpython timeoutInMinutes: 360 + variables: {} steps: # configure qemu binfmt-misc running. This allows us to run docker containers diff --git a/.azure-pipelines/azure-pipelines-osx.yml b/.azure-pipelines/azure-pipelines-osx.yml index e5cf60c..bb0c7ed 100755 --- a/.azure-pipelines/azure-pipelines-osx.yml +++ b/.azure-pipelines/azure-pipelines-osx.yml @@ -5,42 +5,35 @@ jobs: - job: osx pool: - vmImage: macOS-11 + vmImage: macOS-13 strategy: matrix: - osx_64_numpy1.22python3.10.____cpython: - CONFIG: osx_64_numpy1.22python3.10.____cpython + osx_64_python3.10.____cpython: + CONFIG: osx_64_python3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.22python3.10.____cpython - osx_64_numpy1.22python3.9.____cpython: - CONFIG: osx_64_numpy1.22python3.9.____cpython + SHORT_CONFIG: osx_64_python3.10.____cpython + osx_64_python3.11.____cpython: + CONFIG: osx_64_python3.11.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.22python3.9.____cpython - osx_64_numpy1.23python3.11.____cpython: - CONFIG: osx_64_numpy1.23python3.11.____cpython + SHORT_CONFIG: osx_64_python3.11.____cpython + osx_64_python3.12.____cpython: + CONFIG: osx_64_python3.12.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.23python3.11.____cpython - osx_64_numpy1.26python3.12.____cpython: - CONFIG: osx_64_numpy1.26python3.12.____cpython + SHORT_CONFIG: osx_64_python3.12.____cpython + osx_arm64_python3.10.____cpython: + CONFIG: osx_arm64_python3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.26python3.12.____cpython - osx_arm64_numpy1.22python3.10.____cpython: - CONFIG: osx_arm64_numpy1.22python3.10.____cpython + SHORT_CONFIG: osx_arm64_python3.10.____cpython + osx_arm64_python3.11.____cpython: + CONFIG: osx_arm64_python3.11.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.22python3.10.____cpython - osx_arm64_numpy1.22python3.9.____cpython: - CONFIG: osx_arm64_numpy1.22python3.9.____cpython + SHORT_CONFIG: osx_arm64_python3.11.____cpython + osx_arm64_python3.12.____cpython: + CONFIG: osx_arm64_python3.12.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.22python3.9.____cpython - osx_arm64_numpy1.23python3.11.____cpython: - CONFIG: osx_arm64_numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.23python3.11.____cpython - osx_arm64_numpy1.26python3.12.____cpython: - CONFIG: osx_arm64_numpy1.26python3.12.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.26python3.12.____cpython + SHORT_CONFIG: osx_arm64_python3.12.____cpython 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 7eece0d..ead317b 100755 --- a/.azure-pipelines/azure-pipelines-win.yml +++ b/.azure-pipelines/azure-pipelines-win.yml @@ -8,50 +8,31 @@ jobs: vmImage: windows-2022 strategy: matrix: - win_64_numpy1.22python3.10.____cpython: - CONFIG: win_64_numpy1.22python3.10.____cpython + win_64_python3.10.____cpython: + CONFIG: win_64_python3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_numpy1.22python3.10.____cpython - win_64_numpy1.22python3.9.____cpython: - CONFIG: win_64_numpy1.22python3.9.____cpython + SHORT_CONFIG: win_64_python3.10.____cpython + win_64_python3.11.____cpython: + CONFIG: win_64_python3.11.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_numpy1.22python3.9.____cpython - win_64_numpy1.23python3.11.____cpython: - CONFIG: win_64_numpy1.23python3.11.____cpython + SHORT_CONFIG: win_64_python3.11.____cpython + win_64_python3.12.____cpython: + CONFIG: win_64_python3.12.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_numpy1.23python3.11.____cpython - win_64_numpy1.26python3.12.____cpython: - CONFIG: win_64_numpy1.26python3.12.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_numpy1.26python3.12.____cpython + SHORT_CONFIG: win_64_python3.12.____cpython timeoutInMinutes: 360 variables: CONDA_BLD_PATH: D:\\bld\\ + MINIFORGE_HOME: D:\Miniforge UPLOAD_TEMP: D:\\tmp steps: - - 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) - - - script: | - start /wait "" %BUILD_ARTIFACTSTAGINGDIRECTORY%\Miniforge.exe /InstallationType=JustMe /RegisterPython=0 /S /D=C:\Miniforge - displayName: Install Miniforge - - - powershell: Write-Host "##vso[task.prependpath]C:\Miniforge\Scripts" - displayName: Add conda to PATH - - script: | call ".scripts\run_win_build.bat" displayName: Run Windows build env: + MINIFORGE_HOME: $(MINIFORGE_HOME) PYTHONUNBUFFERED: 1 CONFIG: $(CONFIG) CI: azure @@ -64,6 +45,7 @@ jobs: FEEDSTOCK_TOKEN: $(FEEDSTOCK_TOKEN) STAGING_BINSTAR_TOKEN: $(STAGING_BINSTAR_TOKEN) - script: | + set MINIFORGE_HOME=$(MINIFORGE_HOME) set CI=azure set CI_RUN_ID=$(build.BuildNumber).$(system.JobAttempt) set FEEDSTOCK_NAME=$(build.Repository.Name) diff --git a/.ci_support/linux_64_numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_64_numpy1.22python3.9.____cpython.yaml deleted file mode 100644 index 4a67814..0000000 --- a/.ci_support/linux_64_numpy1.22python3.9.____cpython.yaml +++ /dev/null @@ -1,34 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '12' -cdt_name: -- cos6 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cxx_compiler: -- gxx -cxx_compiler_version: -- '12' -docker_image: -- quay.io/condaforge/linux-anvil-cos7-x86_64 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -python_impl: -- cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version -- - python - - numpy - - python_impl diff --git a/.ci_support/linux_64_numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_64_python3.10.____cpython.yaml similarity index 77% rename from .ci_support/linux_64_numpy1.22python3.10.____cpython.yaml rename to .ci_support/linux_64_python3.10.____cpython.yaml index f966168..585234b 100644 --- a/.ci_support/linux_64_numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/linux_64_python3.10.____cpython.yaml @@ -1,9 +1,13 @@ c_compiler: - gcc c_compiler_version: -- '12' +- '13' +c_stdlib: +- sysroot +c_stdlib_version: +- '2.17' cdt_name: -- cos6 +- conda channel_sources: - conda-forge channel_targets: @@ -11,11 +15,11 @@ channel_targets: cxx_compiler: - gxx cxx_compiler_version: -- '12' +- '13' docker_image: -- quay.io/condaforge/linux-anvil-cos7-x86_64 +- quay.io/condaforge/linux-anvil-x86_64:alma9 numpy: -- '1.22' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_64_numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_64_python3.11.____cpython.yaml similarity index 77% rename from .ci_support/linux_64_numpy1.23python3.11.____cpython.yaml rename to .ci_support/linux_64_python3.11.____cpython.yaml index 16bef5c..fcffad0 100644 --- a/.ci_support/linux_64_numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_64_python3.11.____cpython.yaml @@ -1,9 +1,13 @@ c_compiler: - gcc c_compiler_version: -- '12' +- '13' +c_stdlib: +- sysroot +c_stdlib_version: +- '2.17' cdt_name: -- cos6 +- conda channel_sources: - conda-forge channel_targets: @@ -11,11 +15,11 @@ channel_targets: cxx_compiler: - gxx cxx_compiler_version: -- '12' +- '13' docker_image: -- quay.io/condaforge/linux-anvil-cos7-x86_64 +- quay.io/condaforge/linux-anvil-x86_64:alma9 numpy: -- '1.23' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_64_numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_64_python3.12.____cpython.yaml similarity index 77% rename from .ci_support/linux_64_numpy1.26python3.12.____cpython.yaml rename to .ci_support/linux_64_python3.12.____cpython.yaml index 8ef7857..ddd2410 100644 --- a/.ci_support/linux_64_numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/linux_64_python3.12.____cpython.yaml @@ -1,9 +1,13 @@ c_compiler: - gcc c_compiler_version: -- '12' +- '13' +c_stdlib: +- sysroot +c_stdlib_version: +- '2.17' cdt_name: -- cos6 +- conda channel_sources: - conda-forge channel_targets: @@ -11,11 +15,11 @@ channel_targets: cxx_compiler: - gxx cxx_compiler_version: -- '12' +- '13' docker_image: -- quay.io/condaforge/linux-anvil-cos7-x86_64 +- quay.io/condaforge/linux-anvil-x86_64:alma9 numpy: -- '1.26' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.22python3.9.____cpython.yaml deleted file mode 100644 index d1dca5d..0000000 --- a/.ci_support/linux_aarch64_numpy1.22python3.9.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -BUILD: -- aarch64-conda_cos7-linux-gnu -c_compiler: -- gcc -c_compiler_version: -- '12' -cdt_arch: -- aarch64 -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cxx_compiler: -- gxx -cxx_compiler_version: -- '12' -docker_image: -- quay.io/condaforge/linux-anvil-cos7-x86_64 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -python_impl: -- cpython -target_platform: -- linux-aarch64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version -- - python - - numpy - - python_impl diff --git a/.ci_support/linux_aarch64_numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_aarch64_python3.10.____cpython.yaml similarity index 79% rename from .ci_support/linux_aarch64_numpy1.22python3.10.____cpython.yaml rename to .ci_support/linux_aarch64_python3.10.____cpython.yaml index 2b3b796..5dc89e1 100644 --- a/.ci_support/linux_aarch64_numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/linux_aarch64_python3.10.____cpython.yaml @@ -3,11 +3,15 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '12' +- '13' +c_stdlib: +- sysroot +c_stdlib_version: +- '2.17' cdt_arch: - aarch64 cdt_name: -- cos7 +- conda channel_sources: - conda-forge channel_targets: @@ -15,11 +19,11 @@ channel_targets: cxx_compiler: - gxx cxx_compiler_version: -- '12' +- '13' docker_image: -- quay.io/condaforge/linux-anvil-cos7-x86_64 +- quay.io/condaforge/linux-anvil-x86_64:alma9 numpy: -- '1.22' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_aarch64_python3.11.____cpython.yaml similarity index 79% rename from .ci_support/linux_aarch64_numpy1.23python3.11.____cpython.yaml rename to .ci_support/linux_aarch64_python3.11.____cpython.yaml index 8eaa369..68a99c7 100644 --- a/.ci_support/linux_aarch64_numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_aarch64_python3.11.____cpython.yaml @@ -3,11 +3,15 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '12' +- '13' +c_stdlib: +- sysroot +c_stdlib_version: +- '2.17' cdt_arch: - aarch64 cdt_name: -- cos7 +- conda channel_sources: - conda-forge channel_targets: @@ -15,11 +19,11 @@ channel_targets: cxx_compiler: - gxx cxx_compiler_version: -- '12' +- '13' docker_image: -- quay.io/condaforge/linux-anvil-cos7-x86_64 +- quay.io/condaforge/linux-anvil-x86_64:alma9 numpy: -- '1.23' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_aarch64_python3.12.____cpython.yaml similarity index 79% rename from .ci_support/linux_aarch64_numpy1.26python3.12.____cpython.yaml rename to .ci_support/linux_aarch64_python3.12.____cpython.yaml index 17b864a..b2d8082 100644 --- a/.ci_support/linux_aarch64_numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/linux_aarch64_python3.12.____cpython.yaml @@ -3,11 +3,15 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '12' +- '13' +c_stdlib: +- sysroot +c_stdlib_version: +- '2.17' cdt_arch: - aarch64 cdt_name: -- cos7 +- conda channel_sources: - conda-forge channel_targets: @@ -15,11 +19,11 @@ channel_targets: cxx_compiler: - gxx cxx_compiler_version: -- '12' +- '13' docker_image: -- quay.io/condaforge/linux-anvil-cos7-x86_64 +- quay.io/condaforge/linux-anvil-x86_64:alma9 numpy: -- '1.26' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_ppc64le_numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_ppc64le_numpy1.22python3.9.____cpython.yaml deleted file mode 100644 index 5e8741f..0000000 --- a/.ci_support/linux_ppc64le_numpy1.22python3.9.____cpython.yaml +++ /dev/null @@ -1,34 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '12' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cxx_compiler: -- gxx -cxx_compiler_version: -- '12' -docker_image: -- quay.io/condaforge/linux-anvil-cos7-x86_64 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -python_impl: -- cpython -target_platform: -- linux-ppc64le -zip_keys: -- - c_compiler_version - - cxx_compiler_version -- - python - - numpy - - python_impl diff --git a/.ci_support/linux_ppc64le_numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_ppc64le_python3.10.____cpython.yaml similarity index 77% rename from .ci_support/linux_ppc64le_numpy1.22python3.10.____cpython.yaml rename to .ci_support/linux_ppc64le_python3.10.____cpython.yaml index 11eca87..15ba250 100644 --- a/.ci_support/linux_ppc64le_numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/linux_ppc64le_python3.10.____cpython.yaml @@ -1,9 +1,13 @@ c_compiler: - gcc c_compiler_version: -- '12' +- '13' +c_stdlib: +- sysroot +c_stdlib_version: +- '2.17' cdt_name: -- cos7 +- conda channel_sources: - conda-forge channel_targets: @@ -11,11 +15,11 @@ channel_targets: cxx_compiler: - gxx cxx_compiler_version: -- '12' +- '13' docker_image: -- quay.io/condaforge/linux-anvil-cos7-x86_64 +- quay.io/condaforge/linux-anvil-x86_64:alma9 numpy: -- '1.22' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_ppc64le_numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_ppc64le_python3.11.____cpython.yaml similarity index 77% rename from .ci_support/linux_ppc64le_numpy1.23python3.11.____cpython.yaml rename to .ci_support/linux_ppc64le_python3.11.____cpython.yaml index 4b00e63..6dc46c4 100644 --- a/.ci_support/linux_ppc64le_numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_ppc64le_python3.11.____cpython.yaml @@ -1,9 +1,13 @@ c_compiler: - gcc c_compiler_version: -- '12' +- '13' +c_stdlib: +- sysroot +c_stdlib_version: +- '2.17' cdt_name: -- cos7 +- conda channel_sources: - conda-forge channel_targets: @@ -11,11 +15,11 @@ channel_targets: cxx_compiler: - gxx cxx_compiler_version: -- '12' +- '13' docker_image: -- quay.io/condaforge/linux-anvil-cos7-x86_64 +- quay.io/condaforge/linux-anvil-x86_64:alma9 numpy: -- '1.23' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_ppc64le_numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_ppc64le_python3.12.____cpython.yaml similarity index 77% rename from .ci_support/linux_ppc64le_numpy1.26python3.12.____cpython.yaml rename to .ci_support/linux_ppc64le_python3.12.____cpython.yaml index 02417f5..267ed65 100644 --- a/.ci_support/linux_ppc64le_numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/linux_ppc64le_python3.12.____cpython.yaml @@ -1,9 +1,13 @@ c_compiler: - gcc c_compiler_version: -- '12' +- '13' +c_stdlib: +- sysroot +c_stdlib_version: +- '2.17' cdt_name: -- cos7 +- conda channel_sources: - conda-forge channel_targets: @@ -11,11 +15,11 @@ channel_targets: cxx_compiler: - gxx cxx_compiler_version: -- '12' +- '13' docker_image: -- quay.io/condaforge/linux-anvil-cos7-x86_64 +- quay.io/condaforge/linux-anvil-x86_64:alma9 numpy: -- '1.26' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/migrations/numpy2.yaml b/.ci_support/migrations/numpy2.yaml new file mode 100644 index 0000000..fd981b8 --- /dev/null +++ b/.ci_support/migrations/numpy2.yaml @@ -0,0 +1,52 @@ +__migrator: + build_number: 1 + kind: version + commit_message: | + Rebuild for numpy 2.0 + + TL;DR: The way we build against numpy has changed as of numpy 2.0. This bot + PR has updated the recipe to account for the changes (see below for details). + + The biggest change is that we no longer need to use the oldest available numpy + version at build time in order to support old numpy version at runtime - numpy + will by default use a compatible ABI for the oldest still-supported numpy versions. + + Additionally, we no longer need to use `{{ pin_compatible("numpy") }}` as a + run requirement - this has been handled for more than two years now by a + run-export on the numpy package itself. The migrator will therefore remove + any occurrences of this. + + However, you will still need to add the lower bound for the numpy version, + in line with what the upstream package requires. The default lower bound from + the run-export is `>=1.19`; if your package needs a newer version than that, + please add `numpy >=x.y` under `run:`. + + Finally, by default, building against numpy 2.0 will assume that the package + is compatible with numpy 2.0, which is not necessarily the case. You should + check that the upstream package explicitly supports numpy 2.0, otherwise you + need to add a `- numpy <2.0dev0` run requirement until that happens (check numpy + issue 26191 for an overview of the most important packages). + + ### To-Dos: + * [ ] Match run-requirements for numpy (i.e. check upstream `pyproject.toml` or however the project specifies numpy compatibility) + * If upstream is not yet compatible with numpy 2.0, add `numpy <2.0dev0` upper bound under `run:`. + * If upstream is already compatible with numpy 2.0, double-check their supported numpy versions. + * If upstream requires a minimum numpy version newer than 1.19, you need to add `numpy >=x.y` under `run:`. + * [ ] Remove any remaining occurrences of `{{ pin_compatible("numpy") }}` that the bot may have missed. + + PS. If the build does not compile anymore, this is almost certainly a sign that + the upstream project is not yet ready for numpy 2.0; do not close this PR until + a version compatible with numpy 2.0 has been released upstream and on this + feedstock (in the meantime, you can keep the bot from reopening this PR in + case of git conflicts by marking it as a draft). + + migration_number: 1 + +# needs to match length of zip {python, python_impl, numpy} +# as it is in global CBC in order to override it +numpy: + - 2.0 + - 2.0 + - 2.0 + - 2.0 +migrator_ts: 1713572489.295986 diff --git a/.ci_support/migrations/python312.yaml b/.ci_support/migrations/python312.yaml deleted file mode 100644 index b39b1bb..0000000 --- a/.ci_support/migrations/python312.yaml +++ /dev/null @@ -1,38 +0,0 @@ -migrator_ts: 1695046563 -__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 - - 3.11.* *_cpython - - 3.12.* *_cpython # new entry - - 3.6.* *_73_pypy - - 3.7.* *_73_pypy - - 3.8.* *_73_pypy - - 3.9.* *_73_pypy - paused: false - longterm: True - pr_limit: 30 - max_solver_attempts: 6 # this will make the bot retry "not solvable" stuff 6 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: - - 3.12.* *_cpython -# additional entries to add for zip_keys -numpy: - - 1.26 -python_impl: - - cpython diff --git a/.ci_support/osx_64_numpy1.22python3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.22python3.9.____cpython.yaml deleted file mode 100644 index ef23aca..0000000 --- a/.ci_support/osx_64_numpy1.22python3.9.____cpython.yaml +++ /dev/null @@ -1,34 +0,0 @@ -MACOSX_DEPLOYMENT_TARGET: -- '10.9' -c_compiler: -- clang -c_compiler_version: -- '15' -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cxx_compiler: -- clangxx -cxx_compiler_version: -- '15' -macos_machine: -- x86_64-apple-darwin13.4.0 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -python_impl: -- cpython -target_platform: -- osx-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version -- - python - - numpy - - python_impl diff --git a/.ci_support/osx_64_numpy1.22python3.10.____cpython.yaml b/.ci_support/osx_64_python3.10.____cpython.yaml similarity index 78% rename from .ci_support/osx_64_numpy1.22python3.10.____cpython.yaml rename to .ci_support/osx_64_python3.10.____cpython.yaml index c709a33..5d123d5 100644 --- a/.ci_support/osx_64_numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/osx_64_python3.10.____cpython.yaml @@ -1,9 +1,15 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' +MACOSX_SDK_VERSION: +- '10.13' c_compiler: - clang c_compiler_version: -- '15' +- '18' +c_stdlib: +- macosx_deployment_target +c_stdlib_version: +- '10.13' channel_sources: - conda-forge channel_targets: @@ -11,11 +17,11 @@ channel_targets: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '18' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.22' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/osx_64_numpy1.23python3.11.____cpython.yaml b/.ci_support/osx_64_python3.11.____cpython.yaml similarity index 78% rename from .ci_support/osx_64_numpy1.23python3.11.____cpython.yaml rename to .ci_support/osx_64_python3.11.____cpython.yaml index 56523ed..25c3182 100644 --- a/.ci_support/osx_64_numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/osx_64_python3.11.____cpython.yaml @@ -1,9 +1,15 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' +MACOSX_SDK_VERSION: +- '10.13' c_compiler: - clang c_compiler_version: -- '15' +- '18' +c_stdlib: +- macosx_deployment_target +c_stdlib_version: +- '10.13' channel_sources: - conda-forge channel_targets: @@ -11,11 +17,11 @@ channel_targets: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '18' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.23' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/osx_64_numpy1.26python3.12.____cpython.yaml b/.ci_support/osx_64_python3.12.____cpython.yaml similarity index 78% rename from .ci_support/osx_64_numpy1.26python3.12.____cpython.yaml rename to .ci_support/osx_64_python3.12.____cpython.yaml index 3ed6b43..6d2e786 100644 --- a/.ci_support/osx_64_numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/osx_64_python3.12.____cpython.yaml @@ -1,9 +1,15 @@ MACOSX_DEPLOYMENT_TARGET: -- '10.9' +- '10.13' +MACOSX_SDK_VERSION: +- '10.13' c_compiler: - clang c_compiler_version: -- '15' +- '18' +c_stdlib: +- macosx_deployment_target +c_stdlib_version: +- '10.13' channel_sources: - conda-forge channel_targets: @@ -11,11 +17,11 @@ channel_targets: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '18' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.26' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/osx_arm64_numpy1.22python3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22python3.9.____cpython.yaml deleted file mode 100644 index 4ecec7a..0000000 --- a/.ci_support/osx_arm64_numpy1.22python3.9.____cpython.yaml +++ /dev/null @@ -1,34 +0,0 @@ -MACOSX_DEPLOYMENT_TARGET: -- '11.0' -c_compiler: -- clang -c_compiler_version: -- '15' -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cxx_compiler: -- clangxx -cxx_compiler_version: -- '15' -macos_machine: -- arm64-apple-darwin20.0.0 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -python_impl: -- cpython -target_platform: -- osx-arm64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version -- - python - - numpy - - python_impl diff --git a/.ci_support/osx_arm64_numpy1.22python3.10.____cpython.yaml b/.ci_support/osx_arm64_python3.10.____cpython.yaml similarity index 80% rename from .ci_support/osx_arm64_numpy1.22python3.10.____cpython.yaml rename to .ci_support/osx_arm64_python3.10.____cpython.yaml index 625aed0..9e58bb1 100644 --- a/.ci_support/osx_arm64_numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_python3.10.____cpython.yaml @@ -1,9 +1,15 @@ MACOSX_DEPLOYMENT_TARGET: - '11.0' +MACOSX_SDK_VERSION: +- '11.0' c_compiler: - clang c_compiler_version: -- '15' +- '18' +c_stdlib: +- macosx_deployment_target +c_stdlib_version: +- '11.0' channel_sources: - conda-forge channel_targets: @@ -11,11 +17,11 @@ channel_targets: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '18' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.22' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/osx_arm64_numpy1.23python3.11.____cpython.yaml b/.ci_support/osx_arm64_python3.11.____cpython.yaml similarity index 80% rename from .ci_support/osx_arm64_numpy1.23python3.11.____cpython.yaml rename to .ci_support/osx_arm64_python3.11.____cpython.yaml index 6e7a234..69beea2 100644 --- a/.ci_support/osx_arm64_numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/osx_arm64_python3.11.____cpython.yaml @@ -1,9 +1,15 @@ MACOSX_DEPLOYMENT_TARGET: - '11.0' +MACOSX_SDK_VERSION: +- '11.0' c_compiler: - clang c_compiler_version: -- '15' +- '18' +c_stdlib: +- macosx_deployment_target +c_stdlib_version: +- '11.0' channel_sources: - conda-forge channel_targets: @@ -11,11 +17,11 @@ channel_targets: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '18' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.23' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/osx_arm64_numpy1.26python3.12.____cpython.yaml b/.ci_support/osx_arm64_python3.12.____cpython.yaml similarity index 80% rename from .ci_support/osx_arm64_numpy1.26python3.12.____cpython.yaml rename to .ci_support/osx_arm64_python3.12.____cpython.yaml index fdd3515..fc87628 100644 --- a/.ci_support/osx_arm64_numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/osx_arm64_python3.12.____cpython.yaml @@ -1,9 +1,15 @@ MACOSX_DEPLOYMENT_TARGET: - '11.0' +MACOSX_SDK_VERSION: +- '11.0' c_compiler: - clang c_compiler_version: -- '15' +- '18' +c_stdlib: +- macosx_deployment_target +c_stdlib_version: +- '11.0' channel_sources: - conda-forge channel_targets: @@ -11,11 +17,11 @@ channel_targets: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '18' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.26' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/win_64_numpy1.22python3.9.____cpython.yaml b/.ci_support/win_64_numpy1.22python3.9.____cpython.yaml deleted file mode 100644 index f14bc20..0000000 --- a/.ci_support/win_64_numpy1.22python3.9.____cpython.yaml +++ /dev/null @@ -1,24 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge main -cxx_compiler: -- vs2019 -numpy: -- '1.22' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -python_impl: -- cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy - - python_impl diff --git a/.ci_support/win_64_numpy1.22python3.10.____cpython.yaml b/.ci_support/win_64_python3.10.____cpython.yaml similarity index 92% rename from .ci_support/win_64_numpy1.22python3.10.____cpython.yaml rename to .ci_support/win_64_python3.10.____cpython.yaml index 7111329..24730fa 100644 --- a/.ci_support/win_64_numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/win_64_python3.10.____cpython.yaml @@ -1,5 +1,7 @@ c_compiler: - vs2019 +c_stdlib: +- vs channel_sources: - conda-forge channel_targets: @@ -7,7 +9,7 @@ channel_targets: cxx_compiler: - vs2019 numpy: -- '1.22' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/win_64_numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_python3.11.____cpython.yaml similarity index 92% rename from .ci_support/win_64_numpy1.23python3.11.____cpython.yaml rename to .ci_support/win_64_python3.11.____cpython.yaml index b3b0ab8..ab2aaa4 100644 --- a/.ci_support/win_64_numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/win_64_python3.11.____cpython.yaml @@ -1,5 +1,7 @@ c_compiler: - vs2019 +c_stdlib: +- vs channel_sources: - conda-forge channel_targets: @@ -7,7 +9,7 @@ channel_targets: cxx_compiler: - vs2019 numpy: -- '1.23' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/win_64_numpy1.26python3.12.____cpython.yaml b/.ci_support/win_64_python3.12.____cpython.yaml similarity index 92% rename from .ci_support/win_64_numpy1.26python3.12.____cpython.yaml rename to .ci_support/win_64_python3.12.____cpython.yaml index 8f4e70d..6be04e8 100644 --- a/.ci_support/win_64_numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/win_64_python3.12.____cpython.yaml @@ -1,5 +1,7 @@ c_compiler: - vs2019 +c_stdlib: +- vs channel_sources: - conda-forge channel_targets: @@ -7,7 +9,7 @@ channel_targets: cxx_compiler: - vs2019 numpy: -- '1.26' +- '2.0' pin_run_as_build: python: min_pin: x.x diff --git a/.gitattributes b/.gitattributes index 7f32763..18f114a 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/.gitignore b/.gitignore index c002910..179afe5 100644 --- a/.gitignore +++ b/.gitignore @@ -3,11 +3,22 @@ # Everything else is managed by the conda-smithy rerender process. # Please do not modify +# Ignore all files and folders in root * !/conda-forge.yml -!/*/ +# Don't ignore any files/folders if the parent folder is 'un-ignored' +# This also avoids warnings when adding an already-checked file with an ignored parent. +!/**/ +# Don't ignore any files/folders recursively in the following folders !/recipe/** !/.ci_support/** +# Since we ignore files/folders recursively, any folders inside +# build_artifacts gets ignored which trips some build systems. +# To avoid that we 'un-ignore' all files/folders recursively +# and only ignore the root build_artifacts folder. +!/build_artifacts/** +/build_artifacts + *.pyc diff --git a/.scripts/build_steps.sh b/.scripts/build_steps.sh index b92838e..43f58a1 100755 --- a/.scripts/build_steps.sh +++ b/.scripts/build_steps.sh @@ -31,25 +31,31 @@ pkgs_dirs: solver: libmamba CONDARC +mv /opt/conda/conda-meta/history /opt/conda/conda-meta/history.$(date +%Y-%m-%d-%H-%M-%S) +echo > /opt/conda/conda-meta/history +micromamba install --root-prefix ~/.conda --prefix /opt/conda \ + --yes --override-channels --channel conda-forge --strict-channel-priority \ + pip python=3.12 conda-build conda-forge-ci-setup=4 "conda-build <24.11" 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 -mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ - pip mamba conda-build boa conda-forge-ci-setup=4 - # set up the condarc setup_conda_rc "${FEEDSTOCK_ROOT}" "${RECIPE_ROOT}" "${CONFIG_FILE}" source run_conda_forge_build_setup +( +# Due to https://bugzilla.redhat.com/show_bug.cgi?id=1537564 old versions of rpm +# are drastically slowed down when the number of file descriptors is very high. +# This can be visible during a `yum install` step of a feedstock build. +# => Set a lower limit in a subshell for the `yum install`s only. +ulimit -n 1024 # Install the yum requirements defined canonically in the # "recipe/yum_requirements.txt" file. After updating that file, # run "conda smithy rerender" and this line will be updated # automatically. /usr/bin/sudo -n yum install -y xorg-x11-server-Xorg - +) # make the build number clobber make_build_number "${FEEDSTOCK_ROOT}" "${RECIPE_ROOT}" "${CONFIG_FILE}" @@ -65,12 +71,6 @@ if [[ -f "${FEEDSTOCK_ROOT}/LICENSE.txt" ]]; then cp "${FEEDSTOCK_ROOT}/LICENSE.txt" "${RECIPE_ROOT}/recipe-scripts-license.txt" fi -if [[ "${sha:-}" == "" ]]; then - pushd ${FEEDSTOCK_ROOT} - sha=$(git rev-parse HEAD) - popd -fi - if [[ "${BUILD_WITH_CONDA_DEBUG:-0}" == 1 ]]; then if [[ "x${BUILD_OUTPUT_ID:-}" != "x" ]]; then EXTRA_CB_OPTIONS="${EXTRA_CB_OPTIONS:-} --output-id ${BUILD_OUTPUT_ID}" @@ -82,10 +82,16 @@ if [[ "${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 4.9.4 + command -v inspect_artifacts >/dev/null 2>&1 && inspect_artifacts --recipe-dir "${RECIPE_ROOT}" -m "${CONFIG_FILE}" || echo "inspect_artifacts needs conda-forge-ci-setup >=4.9.4" + + ( endgroup "Inspecting artifacts" ) 2> /dev/null ( startgroup "Validating outputs" ) 2> /dev/null validate_recipe_outputs "${FEEDSTOCK_NAME}" diff --git a/.scripts/run_docker_build.sh b/.scripts/run_docker_build.sh index b70ef01..00f377a 100755 --- a/.scripts/run_docker_build.sh +++ b/.scripts/run_docker_build.sh @@ -21,6 +21,12 @@ if [ -z ${FEEDSTOCK_NAME} ]; then export FEEDSTOCK_NAME=$(basename ${FEEDSTOCK_ROOT}) fi +if [[ "${sha:-}" == "" ]]; then + pushd "${FEEDSTOCK_ROOT}" + sha=$(git rev-parse HEAD) + popd +fi + docker info # In order for the conda-build process in the container to write to the mounted diff --git a/.scripts/run_osx_build.sh b/.scripts/run_osx_build.sh index 9259eb9..0892d0b 100755 --- a/.scripts/run_osx_build.sh +++ b/.scripts/run_osx_build.sh @@ -7,28 +7,39 @@ source .scripts/logging_utils.sh set -xe MINIFORGE_HOME=${MINIFORGE_HOME:-${HOME}/miniforge3} +MINIFORGE_HOME=${MINIFORGE_HOME%/} # remove trailing slash -( startgroup "Installing a fresh version of Miniforge" ) 2> /dev/null - -MINIFORGE_URL="https://github.com/conda-forge/miniforge/releases/latest/download" -MINIFORGE_FILE="Mambaforge-MacOSX-$(uname -m).sh" -curl -L -O "${MINIFORGE_URL}/${MINIFORGE_FILE}" -rm -rf ${MINIFORGE_HOME} -bash $MINIFORGE_FILE -b -p ${MINIFORGE_HOME} - -( endgroup "Installing a fresh version of Miniforge" ) 2> /dev/null +( startgroup "Provisioning base env with micromamba" ) 2> /dev/null +MICROMAMBA_VERSION="1.5.10-0" +if [[ "$(uname -m)" == "arm64" ]]; then + osx_arch="osx-arm64" +else + osx_arch="osx-64" +fi +MICROMAMBA_URL="https://github.com/mamba-org/micromamba-releases/releases/download/${MICROMAMBA_VERSION}/micromamba-${osx_arch}" +MAMBA_ROOT_PREFIX="${MINIFORGE_HOME}-micromamba-$(date +%s)" +echo "Downloading micromamba ${MICROMAMBA_VERSION}" +micromamba_exe="$(mktemp -d)/micromamba" +curl -L -o "${micromamba_exe}" "${MICROMAMBA_URL}" +chmod +x "${micromamba_exe}" +echo "Creating environment" +"${micromamba_exe}" create --yes --root-prefix "${MAMBA_ROOT_PREFIX}" --prefix "${MINIFORGE_HOME}" \ + --channel conda-forge \ + pip python=3.12 conda-build conda-forge-ci-setup=4 "conda-build <24.11" +echo "Moving pkgs cache from ${MAMBA_ROOT_PREFIX} to ${MINIFORGE_HOME}" +mv "${MAMBA_ROOT_PREFIX}/pkgs" "${MINIFORGE_HOME}" +echo "Cleaning up micromamba" +rm -rf "${MAMBA_ROOT_PREFIX}" "${micromamba_exe}" || true +( endgroup "Provisioning base env with micromamba" ) 2> /dev/null ( startgroup "Configuring conda" ) 2> /dev/null - -source ${MINIFORGE_HOME}/etc/profile.d/conda.sh +echo "Activating environment" +source "${MINIFORGE_HOME}/etc/profile.d/conda.sh" conda activate base 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 -mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ - pip mamba conda-build boa conda-forge-ci-setup=4 + @@ -81,10 +92,17 @@ 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="$sha" + + ( startgroup "Inspecting artifacts" ) 2> /dev/null + + # inspect_artifacts was only added in conda-forge-ci-setup 4.9.4 + command -v inspect_artifacts >/dev/null 2>&1 && inspect_artifacts --recipe-dir ./recipe -m ./.ci_support/${CONFIG}.yaml || echo "inspect_artifacts needs conda-forge-ci-setup >=4.9.4" + + ( 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 48734de..c8a70d0 100755 --- a/.scripts/run_win_build.bat +++ b/.scripts/run_win_build.bat @@ -3,30 +3,50 @@ :: changes to this script, consider a proposal to conda-smithy so that other feedstocks can also :: benefit from the improvement. -:: Note: we assume a Miniforge installation is available - :: INPUTS (required environment variables) :: CONFIG: name of the .ci_support/*.yaml file for this job :: CI: azure, github_actions, or unset +:: MINIFORGE_HOME: where to install the base conda environment :: UPLOAD_PACKAGES: true or false :: UPLOAD_ON_BRANCH: true or false setlocal enableextensions enabledelayedexpansion +FOR %%A IN ("%~dp0.") DO SET "REPO_ROOT=%%~dpA" +if "%MINIFORGE_HOME%"=="" set "MINIFORGE_HOME=%USERPROFILE%\Miniforge3" +:: Remove trailing backslash, if present +if "%MINIFORGE_HOME:~-1%"=="\" set "MINIFORGE_HOME=%MINIFORGE_HOME:~0,-1%" +call :start_group "Provisioning base env with micromamba" +set "MAMBA_ROOT_PREFIX=%MINIFORGE_HOME%-micromamba-%RANDOM%" +set "MICROMAMBA_VERSION=1.5.10-0" +set "MICROMAMBA_URL=https://github.com/mamba-org/micromamba-releases/releases/download/%MICROMAMBA_VERSION%/micromamba-win-64" +set "MICROMAMBA_TMPDIR=%TMP%\micromamba-%RANDOM%" +set "MICROMAMBA_EXE=%MICROMAMBA_TMPDIR%\micromamba.exe" + +echo Downloading micromamba %MICROMAMBA_VERSION% +if not exist "%MICROMAMBA_TMPDIR%" mkdir "%MICROMAMBA_TMPDIR%" +certutil -urlcache -split -f "%MICROMAMBA_URL%" "%MICROMAMBA_EXE%" +if !errorlevel! neq 0 exit /b !errorlevel! + +echo Creating environment +call "%MICROMAMBA_EXE%" create --yes --root-prefix "%MAMBA_ROOT_PREFIX%" --prefix "%MINIFORGE_HOME%" ^ + --channel conda-forge ^ + pip python=3.12 conda-build conda-forge-ci-setup=4 "conda-build <24.11" +if !errorlevel! neq 0 exit /b !errorlevel! +echo Removing %MAMBA_ROOT_PREFIX% +del /S /Q "%MAMBA_ROOT_PREFIX%" >nul +del /S /Q "%MICROMAMBA_TMPDIR%" >nul + call :start_group "Configuring conda" :: Activate the base conda environment -call activate base +echo Activating environment +call "%MINIFORGE_HOME%\Scripts\activate.bat" :: Configure the solver set "CONDA_SOLVER=libmamba" if !errorlevel! neq 0 exit /b !errorlevel! 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 -if !errorlevel! neq 0 exit /b !errorlevel! - :: Set basic configuration echo Setting up configuration setup_conda_rc .\ ".\recipe" .\.ci_support\%CONFIG%.yaml @@ -48,16 +68,21 @@ if NOT [%HOST_PLATFORM%] == [%BUILD_PLATFORM%] ( ) if NOT [%flow_run_id%] == [] ( - set "EXTRA_CB_OPTIONS=%EXTRA_CB_OPTIONS% --extra-meta flow_run_id=%flow_run_id% remote_url=%remote_url% sha=%sha%" + set "EXTRA_CB_OPTIONS=%EXTRA_CB_OPTIONS% --extra-meta flow_run_id=%flow_run_id% remote_url=%remote_url% sha=%sha%" ) 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 4.9.4 +WHERE inspect_artifacts >nul 2>nul && inspect_artifacts --recipe-dir ".\recipe" -m .ci_support\%CONFIG%.yaml || echo "inspect_artifacts needs conda-forge-ci-setup >=4.9.4" +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 33dba73..0fa5f54 100644 --- a/README.md +++ b/README.md @@ -5,7 +5,7 @@ Feedstock license: [BSD-3-Clause](https://github.com/conda-forge/mdanalysis-feed Home: https://www.mdanalysis.org -Package license: GPL-3.0-or-later +Package license: LGPL-3.0-or-later Summary: A Python package for the handling and analysis of molecular simulations data. @@ -37,171 +37,129 @@ Current build status - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - - - - - - - - - - - - - - - - - - diff --git a/azure-pipelines.yml b/azure-pipelines.yml index 6b346f5..eff4ad6 100644 --- a/azure-pipelines.yml +++ b/azure-pipelines.yml @@ -2,7 +2,32 @@ # update the conda-forge.yml and/or the recipe/meta.yaml. # -*- mode: yaml -*- -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 +stages: +- stage: Check + jobs: + - job: Skip + pool: + vmImage: 'ubuntu-22.04' + variables: + DECODE_PERCENTS: 'false' + RET: 'true' + steps: + - checkout: self + fetchDepth: '2' + - bash: | + git_log=`git log --max-count=1 --skip=1 --pretty=format:"%B" | tr "\n" " "` + echo "##vso[task.setvariable variable=log]$git_log" + displayName: Obtain commit message + - bash: echo "##vso[task.setvariable variable=RET]false" + condition: and(eq(variables['Build.Reason'], 'PullRequest'), or(contains(variables.log, '[skip azp]'), contains(variables.log, '[azp skip]'), contains(variables.log, '[skip ci]'), contains(variables.log, '[ci skip]'))) + displayName: Skip build? + - bash: echo "##vso[task.setvariable variable=start_main;isOutput=true]$RET" + name: result + displayName: Export result +- stage: Build + condition: and(succeeded(), eq(dependencies.Check.outputs['Skip.result.start_main'], 'true')) + dependsOn: Check + jobs: + - template: ./.azure-pipelines/azure-pipelines-linux.yml + - 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 3f4b7a7..c4a56c6 100755 --- a/build-locally.py +++ b/build-locally.py @@ -1,13 +1,16 @@ -#!/usr/bin/env python3 +#!/bin/sh +"""exec" "python3" "$0" "$@" #""" # fmt: off # fmt: on # # This file has been generated by conda-smithy in order to build the recipe # locally. # -import os +# The line above this comment is a bash / sh / zsh guard +# to stop people from running it with the wrong interpreter import glob +import os +import platform import subprocess from argparse import ArgumentParser -import platform def setup_environment(ns): @@ -23,6 +26,13 @@ def setup_environment(ns): os.path.dirname(__file__), "miniforge3" ) + # The default cache location might not be writable using docker on macOS. + if ns.config.startswith("linux") and platform.system() == "Darwin": + os.environ["CONDA_FORGE_DOCKER_RUN_ARGS"] = ( + os.environ.get("CONDA_FORGE_DOCKER_RUN_ARGS", "") + + " -e RATTLER_CACHE_DIR=/tmp/rattler_cache" + ) + def run_docker_build(ns): script = ".scripts/run_docker_build.sh" @@ -64,8 +74,9 @@ 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/conda-forge.yml b/conda-forge.yml index 185f310..cb786b4 100644 --- a/conda-forge.yml +++ b/conda-forge.yml @@ -15,3 +15,6 @@ provider: linux_ppc64le: default win: azure test: native_and_emulated +remote_ci_setup: + - conda-forge-ci-setup=4 + - conda-build <24.11 diff --git a/recipe/LICENSE b/recipe/LICENSE index 453b6be..8d0eead 100644 --- a/recipe/LICENSE +++ b/recipe/LICENSE @@ -2,22 +2,17 @@ Licensing of the MDAnalysis library ========================================================================== -As of MDAnalysis version 2.6.0, the MDAnalyis library is packaged under -the terms of the GNU General Public License version 3 or any later version -(GPLv3+). - -Developer contributions to the library have, unless otherwise stated, been -made under the following conditions: - - From the 31st of July 2023 onwards, all contributions are made under - the terms of the GNU Lesser General Public License v2.1 or any later - version (LGPLv2.1+) - - Before the 31st of July 2023, contributions were made under the GNU - General Public License version 2 or any later version (GPLv2+). +The MDAnalyis library is packaged under the terms of the GNU Lesser +General Public License version 3 or any later version (LGPLv3+). + +Developer contributions to the library are, unless otherwise stated, +made under the GNU Lesser General Public License version 2.1 or any +later version (LGPLv2.1+). The MDAnalysis library also includes external codes provided under licenses -compatible with the terms of the GNU General Public License version 3 or any -later version (GPLv3+). These are outlined under "Licenses of components of -MDAnalysis". +compatible with the terms of the GNU Lesser General Public License version +3 or any later version (LGPLv3+). These are outlined under +"Licenses of components of MDAnalysis". ========================================================================== Licenses of components of MDAnalysis @@ -529,6 +524,175 @@ necessary. Here is a sample; alter the names: That's all there is to it! +========================================================================== + + + GNU LESSER GENERAL PUBLIC LICENSE + Version 3, 29 June 2007 + + Copyright (C) 2007 Free Software Foundation, Inc. + Everyone is permitted to copy and distribute verbatim copies + of this license document, but changing it is not allowed. + + + This version of the GNU Lesser General Public License incorporates +the terms and conditions of version 3 of the GNU General Public +License, supplemented by the additional permissions listed below. + + 0. Additional Definitions. + + As used herein, "this License" refers to version 3 of the GNU Lesser +General Public License, and the "GNU GPL" refers to version 3 of the GNU +General Public License. + + "The Library" refers to a covered work governed by this License, +other than an Application or a Combined Work as defined below. + + An "Application" is any work that makes use of an interface provided +by the Library, but which is not otherwise based on the Library. +Defining a subclass of a class defined by the Library is deemed a mode +of using an interface provided by the Library. + + A "Combined Work" is a work produced by combining or linking an +Application with the Library. The particular version of the Library +with which the Combined Work was made is also called the "Linked +Version". + + The "Minimal Corresponding Source" for a Combined Work means the +Corresponding Source for the Combined Work, excluding any source code +for portions of the Combined Work that, considered in isolation, are +based on the Application, and not on the Linked Version. + + The "Corresponding Application Code" for a Combined Work means the +object code and/or source code for the Application, including any data +and utility programs needed for reproducing the Combined Work from the +Application, but excluding the System Libraries of the Combined Work. + + 1. Exception to Section 3 of the GNU GPL. + + You may convey a covered work under sections 3 and 4 of this License +without being bound by section 3 of the GNU GPL. + + 2. Conveying Modified Versions. + + If you modify a copy of the Library, and, in your modifications, a +facility refers to a function or data to be supplied by an Application +that uses the facility (other than as an argument passed when the +facility is invoked), then you may convey a copy of the modified +version: + + a) under this License, provided that you make a good faith effort to + ensure that, in the event an Application does not supply the + function or data, the facility still operates, and performs + whatever part of its purpose remains meaningful, or + + b) under the GNU GPL, with none of the additional permissions of + this License applicable to that copy. + + 3. Object Code Incorporating Material from Library Header Files. + + The object code form of an Application may incorporate material from +a header file that is part of the Library. You may convey such object +code under terms of your choice, provided that, if the incorporated +material is not limited to numerical parameters, data structure +layouts and accessors, or small macros, inline functions and templates +(ten or fewer lines in length), you do both of the following: + + a) Give prominent notice with each copy of the object code that the + Library is used in it and that the Library and its use are + covered by this License. + + b) Accompany the object code with a copy of the GNU GPL and this license + document. + + 4. Combined Works. + + You may convey a Combined Work under terms of your choice that, +taken together, effectively do not restrict modification of the +portions of the Library contained in the Combined Work and reverse +engineering for debugging such modifications, if you also do each of +the following: + + a) Give prominent notice with each copy of the Combined Work that + the Library is used in it and that the Library and its use are + covered by this License. + + b) Accompany the Combined Work with a copy of the GNU GPL and this license + document. + + c) For a Combined Work that displays copyright notices during + execution, include the copyright notice for the Library among + these notices, as well as a reference directing the user to the + copies of the GNU GPL and this license document. + + d) Do one of the following: + + 0) Convey the Minimal Corresponding Source under the terms of this + License, and the Corresponding Application Code in a form + suitable for, and under terms that permit, the user to + recombine or relink the Application with a modified version of + the Linked Version to produce a modified Combined Work, in the + manner specified by section 6 of the GNU GPL for conveying + Corresponding Source. + + 1) Use a suitable shared library mechanism for linking with the + Library. A suitable mechanism is one that (a) uses at run time + a copy of the Library already present on the user's computer + system, and (b) will operate properly with a modified version + of the Library that is interface-compatible with the Linked + Version. + + e) Provide Installation Information, but only if you would otherwise + be required to provide such information under section 6 of the + GNU GPL, and only to the extent that such information is + necessary to install and execute a modified version of the + Combined Work produced by recombining or relinking the + Application with a modified version of the Linked Version. (If + you use option 4d0, the Installation Information must accompany + the Minimal Corresponding Source and Corresponding Application + Code. If you use option 4d1, you must provide the Installation + Information in the manner specified by section 6 of the GNU GPL + for conveying Corresponding Source.) + + 5. Combined Libraries. + + You may place library facilities that are a work based on the +Library side by side in a single library together with other library +facilities that are not Applications and are not covered by this +License, and convey such a combined library under terms of your +choice, if you do both of the following: + + a) Accompany the combined library with a copy of the same work based + on the Library, uncombined with any other library facilities, + conveyed under the terms of this License. + + b) Give prominent notice with the combined library that part of it + is a work based on the Library, and explaining where to find the + accompanying uncombined form of the same work. + + 6. Revised Versions of the GNU Lesser General Public License. + + The Free Software Foundation may publish revised and/or new versions +of the GNU Lesser General Public License from time to time. Such new +versions will be similar in spirit to the present version, but may +differ in detail to address new problems or concerns. + + Each version is given a distinguishing version number. If the +Library as you received it specifies that a certain numbered version +of the GNU Lesser General Public License "or any later version" +applies to it, you have the option of following the terms and +conditions either of that published version or of any later version +published by the Free Software Foundation. If the Library as you +received it does not specify a version number of the GNU Lesser +General Public License, you may choose any version of the GNU Lesser +General Public License ever published by the Free Software Foundation. + + If the Library as you received it specifies that a proxy can decide +whether future versions of the GNU Lesser General Public License shall +apply, that proxy's public statement of acceptance of any version is +permanent authorization for you to choose that version for the +Library. + ========================================================================== GNU GENERAL PUBLIC LICENSE @@ -1206,351 +1370,6 @@ the library. If this is what you want to do, use the GNU Lesser General Public License instead of this License. But first, please read . - -========================================================================== - - GNU GENERAL PUBLIC LICENSE - Version 2, June 1991 - - Copyright (C) 1989, 1991 Free Software Foundation, Inc. - 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA - Everyone is permitted to copy and distribute verbatim copies - of this license document, but changing it is not allowed. - - Preamble - - The licenses for most software are designed to take away your -freedom to share and change it. By contrast, the GNU General Public -License is intended to guarantee your freedom to share and change free -software--to make sure the software is free for all its users. This -General Public License applies to most of the Free Software -Foundation's software and to any other program whose authors commit to -using it. (Some other Free Software Foundation software is covered by -the GNU Library General Public License instead.) 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See the - GNU General Public License for more details. - - You should have received a copy of the GNU General Public License - along with this program; if not, write to the Free Software - Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA - - -Also add information on how to contact you by electronic and paper mail. - -If the program is interactive, make it output a short notice like this -when it starts in an interactive mode: - - Gnomovision version 69, Copyright (C) year name of author - Gnomovision comes with ABSOLUTELY NO WARRANTY; for details type `show w'. - This is free software, and you are welcome to redistribute it - under certain conditions; type `show c' for details. - -The hypothetical commands `show w' and `show c' should show the appropriate -parts of the General Public License. Of course, the commands you use may -be called something other than `show w' and `show c'; they could even be -mouse-clicks or menu items--whatever suits your program. - -You should also get your employer (if you work as a programmer) or your -school, if any, to sign a "copyright disclaimer" for the program, if -necessary. Here is a sample; alter the names: - - Yoyodyne, Inc., hereby disclaims all copyright interest in the program - `Gnomovision' (which makes passes at compilers) written by James Hacker. - - , 1 April 1989 - Ty Coon, President of Vice - -This General Public License does not permit incorporating your program into -proprietary programs. If your program is a subroutine library, you may -consider it more useful to permit linking proprietary applications with the -library. If this is what you want to do, use the GNU Library General -Public License instead of this License. - - ========================================================================== Gromacs xdrfile library for reading XTC/TRR trajectories @@ -1765,6 +1584,33 @@ PyQCPROT OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. +========================================================================== + +DSSP module code for protein secondary structure assignment + - analysis/dssp/pydssp_numpy.py + +MIT License + +Copyright (c) 2022 Shintaro Minami + +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in all +copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE +SOFTWARE. + ========================================================================== MDAnalysis logo (see doc/sphinx/source/logos) @@ -1787,3 +1633,4 @@ inclusion in MDAnalysis and on websites related to MDAnalysis. They are distributed under the same license as the 'Atom' logo. ========================================================================== + diff --git a/recipe/conda_build_config.yaml b/recipe/conda_build_config.yaml deleted file mode 100644 index 84d2590..0000000 --- a/recipe/conda_build_config.yaml +++ /dev/null @@ -1,10 +0,0 @@ -c_compiler_version: # [unix] - - 12 # [linux] - - 15 # [osx] - - 10 # [os.environ.get("CF_CUDA_ENABLED", "False") == "True" and linux] -cxx_compiler_version: # [unix] - - 12 # [linux] - - 15 # [osx] - - 10 # [os.environ.get("CF_CUDA_ENABLED", "False") == "True" and linux] -llvm_openmp: # [osx] - - 15 # [osx] diff --git a/recipe/meta.yaml b/recipe/meta.yaml index 064cdf8..4fcf8c7 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,21 +1,20 @@ {% set name = "MDAnalysis" %} -{% set version = "2.7.0" %} -{% set sha256 = "572e82945e5d058e3749ec5f18e6b3831ef7f2119cb54672567ae9a977201e93" %} +{% set version = "2.8.0" %} +{% set sha256 = "0cf8efda7cb4a1cc33a92d2cd0d69a3d9b33c06c603df3c386caf6edccf46099" %} package: name: {{ name|lower }} version: {{ version }} source: - fn: {{ name }}-{{ version }}.tar.gz - url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz + url: https://pypi.org/packages/source/m/mdanalysis/mdanalysis-{{ version }}.tar.gz sha256: {{ sha256 }} build: - number: 1 + number: 0 skip: true # [python_impl == 'pypy'] - skip: true # [py>312] - skip: true # [py<39] + skip: true # [py>313] + skip: true # [py<310] script: {{ PYTHON }} -m pip install . --no-deps -vv requirements: @@ -25,6 +24,7 @@ requirements: - cython # [build_platform != target_platform] - numpy # [build_platform != target_platform] - {{ compiler('c') }} + - {{ stdlib("c") }} - {{ compiler('cxx') }} host: - python @@ -32,15 +32,15 @@ requirements: - numpy {{ numpy }} - cython - packaging - + - setuptools run: - python - scipy >=1.5.0 - - {{ pin_compatible('numpy', lower_bound='1.22.3') }} + - numpy >=1.23.2 - matplotlib-base >=1.5.1 - seaborn # [not ppc64le] - netcdf4 >=1.0 - - biopython >=1.80 + - biopython >=1.80 # [not py>312] - networkx >=2.0 - griddataformats >=0.4.0 - joblib >=0.12 @@ -56,6 +56,9 @@ requirements: - pytng >=0.2.3 # [not ppc64le] - pyedr >=0.7.1 - mda-xdrlib + - waterdynamics >=1.2.0 + - pathsimanalysis >=1.2.0 + - mdahole2-base >=0.5.0 test: imports: @@ -66,8 +69,8 @@ test: about: home: https://www.mdanalysis.org - license: GPL-3.0-or-later - license_family: GPL + license: LGPL-3.0-or-later + license_family: LGPL license_file: LICENSE summary: A Python package for the handling and analysis of molecular simulations data. description: |
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osx_arm64_numpy1.22python3.10.____cpythonwin_64_python3.11.____cpython - variant + variant
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osx_arm64_numpy1.23python3.11.____cpython - - variant - -
osx_arm64_numpy1.26python3.12.____cpython - - variant - -
win_64_numpy1.22python3.10.____cpython - - variant - -
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