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| author | George Young <A-N-Other@users.noreply.github.com> | 2024-02-17 21:07:56 +0000 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2024-02-17 15:07:56 -0600 |
| commit | 16ea5f68bac5eec5d0c4cdf0ef8250b89a311ddb (patch) | |
| tree | 68558b76c420bf7edf1249ed5049d23b40ecd9ba | |
| parent | aeec515b4f9100543229bbf2b7eaf4d9aa453764 (diff) | |
| download | spack-16ea5f68bac5eec5d0c4cdf0ef8250b89a311ddb.tar.gz spack-16ea5f68bac5eec5d0c4cdf0ef8250b89a311ddb.tar.bz2 spack-16ea5f68bac5eec5d0c4cdf0ef8250b89a311ddb.tar.xz spack-16ea5f68bac5eec5d0c4cdf0ef8250b89a311ddb.zip | |
cryodrgn: new package @2.3.0 (#42443)
* cryodrgn: new package @2.3.0
* correcting dependency ranges
* correcting dependency ranges
---------
Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
| -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")) |