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cryodrgn: new package @2.3.0 (#42443)

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* cryodrgn: new package @2.3.0

* correcting dependency ranges

* correcting dependency ranges

---------

Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
This commit is contained in:
George Young 2024-02-17 21:07:56 +00:00 committed by GitHub
parent aeec515b4f
commit 16ea5f68ba
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var/spack/repos/builtin/packages/cryodrgn/package.py Normal file
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# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack.package import *
class Cryodrgn(PythonPackage):
"""CryoDRGN is a neural network based algorithm for heterogeneous cryo-EM reconstruction.
In particular, the method models a continuous distribution over 3D structures by using a
neural network based representation for the volume"""
homepage = "https://cryodrgn.cs.princeton.edu/"
pypi = "cryodrgn/cryodrgn-2.3.0.tar.gz"
license("GPL-3.0-only", checked_by="A-N-Other")
version("2.3.0", sha256="9dd75967fddfa56d6b2fbfc56933c50c9fb994326112513f223e8296adbf0afc")
depends_on("python@3.7:", type=("build", "run"))
depends_on("py-setuptools@61:", type="build")
depends_on("py-setuptools-scm@6.2:", type="build")
depends_on("py-torch@1:", type=("build", "run"))
depends_on("py-pandas@:1", type=("build", "run"))
depends_on("py-numpy", type=("build", "run"))
depends_on("py-matplotlib", type=("build", "run"))
depends_on("py-pyyaml", type=("build", "run"))
depends_on("py-scipy@1.3.1:", type=("build", "run"))
depends_on("py-scikit-learn", type=("build", "run"))
depends_on("py-seaborn@:0.11", type=("build", "run"))
depends_on("py-cufflinks", type=("build", "run"))
depends_on("py-jupyterlab", type=("build", "run"))
depends_on("py-umap-learn", type=("build", "run"))
depends_on("py-ipywidgets@:7", type=("build", "run"))
depends_on("py-healpy", type=("build", "run"))