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Diffstat (limited to 'var/spack/repos/builtin/packages/py-biobb-gromacs/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/py-biobb-gromacs/package.py | 24 |
1 files changed, 24 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/py-biobb-gromacs/package.py b/var/spack/repos/builtin/packages/py-biobb-gromacs/package.py new file mode 100644 index 0000000000..f0fe13caf0 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-biobb-gromacs/package.py @@ -0,0 +1,24 @@ +# 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 PyBiobbGromacs(PythonPackage): + """Biobb_gromacs is the Biobb module collection to perform + molecular dynamics simulations using the GROMACS MD suite""" + + pypi = "biobb_gromacs/biobb_gromacs-4.1.1.tar.gz" + + maintainers("d-beltran") + + # Versions + version("4.1.1", sha256="270cce747fc214471527438c8319bda0613be5b76da9f4684e6f138d1927d2f7") + + # Dependencies + depends_on("py-setuptools", type="build") + depends_on("python@3.8:", type=("build", "run")) + depends_on("py-biobb-common@4.1.0", type=("build", "run")) + depends_on("gromacs", type=("run")) |