From d9d0ceb726b301d68fd649f395fb94134b6f7943 Mon Sep 17 00:00:00 2001 From: Christoph Junghans Date: Thu, 14 Oct 2021 13:17:02 -0600 Subject: [PATCH] add py-pyh5md and update py-espressopp (#26746) * add py-pyh5md and update py-espressopp * Update package.py --- .../builtin/packages/py-espressopp/package.py | 2 ++ .../builtin/packages/py-pyh5md/package.py | 19 +++++++++++++++++++ 2 files changed, 21 insertions(+) create mode 100644 var/spack/repos/builtin/packages/py-pyh5md/package.py diff --git a/var/spack/repos/builtin/packages/py-espressopp/package.py b/var/spack/repos/builtin/packages/py-espressopp/package.py index 371df0f48a..4d5b56c2de 100644 --- a/var/spack/repos/builtin/packages/py-espressopp/package.py +++ b/var/spack/repos/builtin/packages/py-espressopp/package.py @@ -29,6 +29,7 @@ class PyEspressopp(CMakePackage): depends_on("cmake@2.8:", type='build') depends_on("mpi") depends_on("boost+serialization+filesystem+system+python+mpi cxxstd=11") + depends_on("boost+numpy cxxstd=11", when="@master") extends("python") depends_on("python@2:2.8", when="@:2", type=('build', 'run')) depends_on("python@3:", type=('build', 'run')) @@ -38,6 +39,7 @@ class PyEspressopp(CMakePackage): depends_on("py-sphinx", when="+pdf", type='build') depends_on('py-numpy@:1.16.6', when='@:2', type=('build', 'run')) depends_on('py-numpy', type=('build', 'run')) + depends_on('py-pyh5md', when='@master', type=('build', 'run')) depends_on('py-matplotlib', when="+ug", type='build') depends_on('py-matplotlib', when="+pdf", type='build') depends_on("texlive", when="+pdf", type='build') diff --git a/var/spack/repos/builtin/packages/py-pyh5md/package.py b/var/spack/repos/builtin/packages/py-pyh5md/package.py new file mode 100644 index 0000000000..8d1108afa4 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-pyh5md/package.py @@ -0,0 +1,19 @@ +# 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 PyPyh5md(PythonPackage): + """Read and write H5MD files.""" + + homepage = "https://github.com/pdebuyl/pyh5md" + pypi = "pyh5md/pyh5md-1.0.0.tar.gz" + + version('1.0.0', sha256='424cb9737464db5f49996b3be2371e718bf2a27dec0440870bc89591817015d2') + + depends_on('py-setuptools', type='build') + depends_on('py-h5py', type=('build', 'run')) + depends_on('py-numpy', type=('build', 'run'))