rowan-python 1.1.0__tar.gz → 1.1.1__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {rowan_python-1.1.0 → rowan_python-1.1.1}/PKG-INFO +1 -1
- {rowan_python-1.1.0 → rowan_python-1.1.1}/pixi.lock +27 -27
- {rowan_python-1.1.0 → rowan_python-1.1.1}/pyproject.toml +2 -2
- {rowan_python-1.1.0 → rowan_python-1.1.1}/.github/workflows/python-publish.yml +0 -0
- {rowan_python-1.1.0 → rowan_python-1.1.1}/.gitignore +0 -0
- {rowan_python-1.1.0 → rowan_python-1.1.1}/LICENSE +0 -0
- {rowan_python-1.1.0 → rowan_python-1.1.1}/README.md +0 -0
- {rowan_python-1.1.0 → rowan_python-1.1.1}/examples/run.py +0 -0
- {rowan_python-1.1.0 → rowan_python-1.1.1}/rowan/__init__.py +0 -0
- {rowan_python-1.1.0 → rowan_python-1.1.1}/rowan/calculation.py +0 -0
- {rowan_python-1.1.0 → rowan_python-1.1.1}/rowan/client.py +0 -0
- {rowan_python-1.1.0 → rowan_python-1.1.1}/rowan/constants.py +0 -0
- {rowan_python-1.1.0 → rowan_python-1.1.1}/rowan/folder.py +0 -0
- {rowan_python-1.1.0 → rowan_python-1.1.1}/rowan/rowan_rdkit/__init__.py +0 -0
- {rowan_python-1.1.0 → rowan_python-1.1.1}/rowan/rowan_rdkit/chem_utils.py +0 -0
- {rowan_python-1.1.0 → rowan_python-1.1.1}/rowan/utils.py +0 -0
- {rowan_python-1.1.0 → rowan_python-1.1.1}/rowan/workflow.py +0 -0
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- conda: https://conda.anaconda.org/conda-forge/linux-64/libcblas-3.9.0-26_linux64_openblas.conda
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- conda: https://conda.anaconda.org/conda-forge/linux-64/libdeflate-1.23-h4ddbbb0_0.conda
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- conda: https://conda.anaconda.org/conda-forge/linux-64/libedit-3.1.
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- conda: https://conda.anaconda.org/conda-forge/linux-64/libexpat-2.6.4-h5888daf_0.conda
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- conda: https://conda.anaconda.org/conda-forge/linux-64/libffi-3.4.2-h7f98852_5.tar.bz2
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- conda: https://conda.anaconda.org/conda-forge/linux-64/libgcc-14.2.0-h77fa898_1.conda
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- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libcxx-19.1.6-ha82da77_1.conda
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- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libedit-3.1.
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- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libgfortran-5.0.0-13_2_0_hd922786_3.conda
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timestamp: 1734373971372
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- kind: conda
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name: libedit
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version: 3.1.
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md5: 30e4362988a2623e9eb34337b83e01f9
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version: 3.1.20240808
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build: pl5321h7949ede_0
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subdir: linux-64
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url: https://conda.anaconda.org/conda-forge/linux-64/libedit-3.1.20240808-pl5321h7949ede_0.conda
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sha256: 4d0d69ddf9cc7d724a1ccf3a9852e44c8aea9825692582bac2c4e8d21ec95ccd
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md5: 8247f80f3dc464d9322e85007e307fe8
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depends:
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license: BSD-2-Clause
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purls: []
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size: 134657
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timestamp: 1736191912705
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name: libedit
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version: 3.1.20240808
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build: pl5321hafb1f1b_0
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subdir: osx-arm64
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url: https://conda.anaconda.org/conda-forge/osx-arm64/libedit-3.1.20240808-pl5321hafb1f1b_0.conda
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sha256: fb934d7a03279ec8eae4bf1913ac9058fcf6fed35290d8ffa6e04157f396a3b1
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license: BSD-2-Clause
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name: libexpat
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timestamp: 1687519707123
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- kind: pypi
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name: rowan-python
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version: 1.1.1
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path: .
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sha256: 3dde2ca599cde358e919526f776a1c5854e235152f6465b60ed1bb0b13dcbc70
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requires_python: '>=3.8'
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editable: true
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[project]
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name = "rowan-python"
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version = "1.1.
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version = "1.1.1"
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description = "Rowan Python Library"
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readme = "README.md"
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requires-python = ">=3.8"
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cctk = ">=0.2.25,<0.3"
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httpx = ">=0.27.2,<0.28"
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setuptools = ">=73.0.1,<74"
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rdkit = ">=2024.
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rdkit = ">=2024.09.4"
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[tool.hatch.build.targets.wheel]
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packages = ["rowan"]
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