py-mxfold2: new package at v0.1.1 (#27383)

1 files changed, 26 insertions, 0 deletions

diff --git a/var/spack/repos/builtin/packages/py-mxfold2/package.py b/var/spack/repos/builtin/packages/py-mxfold2/package.py
new file mode 100644
index 0000000000..c6838a97dc
--- /dev/null
+++ b/var/spack/repos/builtin/packages/py-mxfold2/package.py
@@ -0,0 +1,26 @@
+# Copyright 2013-2021 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 import *
+
+
+class PyMxfold2(PythonPackage):
+    """MXfold2: RNA secondary structure prediction using deep
+    learning with thermodynamic integration"""
+
+    homepage = "https://github.com/keio-bioinformatics/mxfold2"
+    url      = "https://github.com/keio-bioinformatics/mxfold2/releases/download/v0.1.1/mxfold2-0.1.1.tar.gz"
+
+    maintainers = ['dorton21']
+
+    version('0.1.1', sha256='9f39c6ff4138212d1ad2639005f5c05ffb4df0f7e22f5e7ad49466a05aa047e5')
+
+    depends_on('python@3.7:', type=('build', 'run'))
+    depends_on('py-torch@1.7:~valgrind', type=('build', 'run'))
+    depends_on('py-torchvision', type=('build', 'run'))
+    depends_on('py-wheel@0.35.1:0.36.0', type=('build', 'run'))
+    depends_on('py-setuptools', type='build')
+    depends_on('py-setuptools-cpp', type='build')
+    depends_on('cmake', type='build')