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Update 4.1.1 (#42)
MNT: Re-rendered with conda-smithy 3.61.2 and conda-forge-pinning 2026.05.04.16.48.4
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.azure-pipelines/azure-pipelines-osx.yml

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.azure-pipelines/azure-pipelines-win.yml

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.github/workflows/conda-build.yml

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matrix:
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include:
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- CONFIG: linux_64_python3.10.____cpython
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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os: ubuntu
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runs_on: ['ubuntu-latest']
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DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9
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- CONFIG: linux_64_python3.11.____cpython
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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os: ubuntu
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runs_on: ['ubuntu-latest']
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DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9
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- CONFIG: linux_64_python3.12.____cpython
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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os: ubuntu
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runs_on: ['ubuntu-latest']
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DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9
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- CONFIG: linux_64_python3.13.____cp313
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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os: ubuntu
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runs_on: ['ubuntu-latest']
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DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9
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- CONFIG: linux_64_python3.14.____cp314
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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os: ubuntu
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runs_on: ['ubuntu-latest']
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DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9
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- CONFIG: linux_aarch64_python3.10.____cpython
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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os: ubuntu
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runs_on: ['ubuntu-latest']
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DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9
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- CONFIG: linux_aarch64_python3.11.____cpython
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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os: ubuntu
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runs_on: ['ubuntu-latest']
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DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9
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- CONFIG: linux_aarch64_python3.12.____cpython
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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os: ubuntu
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runs_on: ['ubuntu-latest']
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DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9
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- CONFIG: linux_aarch64_python3.13.____cp313
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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os: ubuntu
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runs_on: ['ubuntu-latest']
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DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9
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- CONFIG: linux_aarch64_python3.14.____cp314
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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os: ubuntu
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runs_on: ['ubuntu-latest']
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DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9
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- CONFIG: linux_ppc64le_python3.10.____cpython
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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os: ubuntu
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runs_on: ['ubuntu-latest']
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DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9
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- CONFIG: linux_ppc64le_python3.11.____cpython
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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os: ubuntu
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runs_on: ['ubuntu-latest']
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DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9
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- CONFIG: linux_ppc64le_python3.12.____cpython
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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os: ubuntu
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runs_on: ['ubuntu-latest']
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DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9
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- CONFIG: linux_ppc64le_python3.13.____cp313
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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os: ubuntu
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runs_on: ['ubuntu-latest']
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DOCKER_IMAGE: quay.io/condaforge/linux-anvil-x86_64:alma9
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STORE_BUILD_ARTIFACTS: False
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UPLOAD_PACKAGES: True
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env:
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# default value; make it explicit, as it needs to match with artefact
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# generation below. Not configurable for now, can be revisited later
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CONDA_BLD_DIR: C:\bld
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CONDA_BLD_PATH: C:\bld
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MINIFORGE_HOME: ${{ contains(runner.arch, 'ARM') && 'C' || 'D' }}:\Miniforge
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PYTHONUNBUFFERED: 1
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CONFIG: ${{ matrix.CONFIG }}

.gitignore

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recipe/bld.bat

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@echo on
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copy assets\parameters.toml python\dftd4
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%PYTHON% -m build --outdir . --no-isolation --wheel python/
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%PYTHON% -m build --outdir . --no-isolation --wheel .
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for %%f in (*.whl) do (%PYTHON% -m pip install %%f --no-deps -vv)

recipe/build.sh

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--outdir . \
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--no-isolation \
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--wheel \
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python/
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.
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${PYTHON} -m pip install *.whl --no-deps -vv

recipe/meta.yaml

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{% set name = "dftd4-python" %}
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{% set version = "4.1.0" %}
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{% set version = "4.1.1" %}
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package:
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name: {{ name|lower }}
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version: {{ version }}
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source:
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url: https://github.com/dftd4/dftd4/releases/download/v{{ version }}/dftd4-{{ version }}-source.tar.xz
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sha256: a61bc0c8e8a7db5302ef4f4f1ebc834bb9dcf2896b0e2af746f25a0d4177d8d0
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url: https://github.com/dftd4/dftd4/releases/download/v{{ version }}/dftd4-{{ version }}.tar.gz
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sha256: a5b99d6da814dfefa8fa14373e8361f64838309b7f374690e0a18201376490bf
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build:
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number: 0

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