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| author | Dani <44979434+d-beltran@users.noreply.github.com> | 2024-02-13 17:05:37 +0100 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2024-02-13 10:05:37 -0600 |
| commit | ce777e3c893b79b897a3bae79aa59b7925b91430 (patch) | |
| tree | 217258dcd204d6d1501cd5b6915afa6450797160 | |
| parent | bd44cedd0de623efde132ad1d8fa964c13309cc3 (diff) | |
| download | spack-ce777e3c893b79b897a3bae79aa59b7925b91430.tar.gz spack-ce777e3c893b79b897a3bae79aa59b7925b91430.tar.bz2 spack-ce777e3c893b79b897a3bae79aa59b7925b91430.tar.xz spack-ce777e3c893b79b897a3bae79aa59b7925b91430.zip | |
py-biobb-structure-checking: new package (#42580)
* new builtin package: py-biobb-structure-checking
* Update var/spack/repos/builtin/packages/py-biobb-structure-checking/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* dependencies are also build dependencies
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
| -rw-r--r-- | var/spack/repos/builtin/packages/py-biobb-structure-checking/package.py | 26 |
1 files changed, 26 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/py-biobb-structure-checking/package.py b/var/spack/repos/builtin/packages/py-biobb-structure-checking/package.py new file mode 100644 index 0000000000..e67b4d089e --- /dev/null +++ b/var/spack/repos/builtin/packages/py-biobb-structure-checking/package.py @@ -0,0 +1,26 @@ +# 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 PyBiobbStructureChecking(PythonPackage): + """Biobb_structure_checking provides a series of functions + to check the quality of a 3D structure intended to facilitate + the setup of a molecular dynamics simulation of protein or nucleic acids systems""" + + pypi = "biobb_structure_checking/biobb_structure_checking-3.14.4.tar.gz" + + maintainers("d-beltran") + + # Versions + version("3.13.4", sha256="d819819d13c7ad219411b70b043555dcd65d5535f696a1121db562646931f445") + + # Dependencies + depends_on("py-setuptools", type="build") + depends_on("python@3.8:", type=("build", "run")) + depends_on("py-psutil", type=("build", "run")) + depends_on("py-numpy", type=("build", "run")) + depends_on("py-biopython@1.79:", type=("build", "run")) |