From dee0f138b853a3ed98cce5533d5fbd2dafd91d24 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Maciej=20W=C3=B3jcik?= Date: Mon, 22 Jan 2024 12:39:36 +0100 Subject: [PATCH] py-nglview: add new package and dependency (py-versioneer-518) (#42079) * Add nglview package * Use slightly older version * py-nglview: Correct py-versioneer version Co-authored-by: Adam J. Stewart * py-nglview: Correct version of py-jupyter-packaging dependency Co-authored-by: Adam J. Stewart * Add py-versioneer-518 package * py-versioneer-518: Correct version * py-nglview: Numpy is needed during build for the tests * py-nglview: dependency needed for tests * py-nglview: Correct dependency types --------- Co-authored-by: Adam J. Stewart --- .../builtin/packages/py-nglview/package.py | 25 +++++++++++++++++++ .../packages/py-versioneer-518/package.py | 19 ++++++++++++++ 2 files changed, 44 insertions(+) create mode 100644 var/spack/repos/builtin/packages/py-nglview/package.py create mode 100644 var/spack/repos/builtin/packages/py-versioneer-518/package.py diff --git a/var/spack/repos/builtin/packages/py-nglview/package.py b/var/spack/repos/builtin/packages/py-nglview/package.py new file mode 100644 index 00000000000..b6d81c1819e --- /dev/null +++ b/var/spack/repos/builtin/packages/py-nglview/package.py @@ -0,0 +1,25 @@ +# 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 PyNglview(PythonPackage): + """Jupyter widget to interactively view molecular structures and trajectories.""" + + homepage = "http://nglviewer.org" + pypi = "nglview/nglview-3.0.8.tar.gz" + + maintainers("w8jcik") + + version("3.0.8", sha256="f9e468cd813dac319cbeca6ae20ae099008ff3a06399f5d23d75582dde28623a") + + depends_on("py-ipywidgets@7:", type=("build", "run")) + depends_on("py-jupyterlab-widgets", type=("build", "run")) + depends_on("py-numpy", type=("build", "run")) + + depends_on("py-setuptools@40.8.0:", type="build") + depends_on("py-jupyter-packaging@0.7.9:0.7", type="build") + depends_on("py-versioneer-518", type="build") diff --git a/var/spack/repos/builtin/packages/py-versioneer-518/package.py b/var/spack/repos/builtin/packages/py-versioneer-518/package.py new file mode 100644 index 00000000000..dec34deb97c --- /dev/null +++ b/var/spack/repos/builtin/packages/py-versioneer-518/package.py @@ -0,0 +1,19 @@ +# 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 PyVersioneer518(PythonPackage): + """Versioneer is a tool to automatically update version strings by + asking your version-control system about the current tree.""" + + homepage = "https://github.com/python-versioneer/versioneer-518" + pypi = "versioneer-518/versioneer-518-0.19.tar.gz" + git = "https://github.com/python-versioneer/versioneer-518.git" + + version("0.19", sha256="a287608997415f45401849d1227a42bb41b80a6e4a7da5776666f85ce6faec41") + + depends_on("py-setuptools", type="build")