add py-pyh5md and update py-espressopp (#26746)

* add  py-pyh5md and update py-espressopp

* Update package.py
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Christoph Junghans 2021-10-14 13:17:02 -06:00 committed by GitHub
parent 6ca4d554cd
commit d9d0ceb726
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2 changed files with 21 additions and 0 deletions

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@ -29,6 +29,7 @@ class PyEspressopp(CMakePackage):
depends_on("cmake@2.8:", type='build') depends_on("cmake@2.8:", type='build')
depends_on("mpi") depends_on("mpi")
depends_on("boost+serialization+filesystem+system+python+mpi cxxstd=11") depends_on("boost+serialization+filesystem+system+python+mpi cxxstd=11")
depends_on("boost+numpy cxxstd=11", when="@master")
extends("python") extends("python")
depends_on("python@2:2.8", when="@:2", type=('build', 'run')) depends_on("python@2:2.8", when="@:2", type=('build', 'run'))
depends_on("python@3:", 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-sphinx", when="+pdf", type='build')
depends_on('py-numpy@:1.16.6', when='@:2', type=('build', 'run')) depends_on('py-numpy@:1.16.6', when='@:2', type=('build', 'run'))
depends_on('py-numpy', 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="+ug", type='build')
depends_on('py-matplotlib', when="+pdf", type='build') depends_on('py-matplotlib', when="+pdf", type='build')
depends_on("texlive", when="+pdf", type='build') depends_on("texlive", when="+pdf", type='build')

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@ -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'))