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| -rw-r--r-- | var/spack/repos/builtin/packages/cryodrgn/package.py | 38 |
1 files changed, 38 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/cryodrgn/package.py b/var/spack/repos/builtin/packages/cryodrgn/package.py new file mode 100644 index 0000000000..317f1ddd97 --- /dev/null +++ b/var/spack/repos/builtin/packages/cryodrgn/package.py @@ -0,0 +1,38 @@ +# 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")) |