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Add mda-xdrlib and update pyedr and panedr (#39912)

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* ensure umpire~cuda~rocm when ~cuda~rocm

* Add mda-xdrlib and update pyedr and panedr

* Update var/spack/repos/builtin/packages/py-mda-xdrlib/package.py

Co-authored-by: Manuela Kuhn <36827019+manuelakuhn@users.noreply.github.com>

* code review

* fix python pin, conflated with py-tomli

---------

Co-authored-by: Manuela Kuhn <36827019+manuelakuhn@users.noreply.github.com>
This commit is contained in:
Rocco Meli 2023-09-24 10:07:59 +02:00 committed by GitHub
parent 95b737d923
commit 582f0289af
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GPG Key ID: 4AEE18F83AFDEB23
3 changed files with 24 additions and 2 deletions
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20
var/spack/repos/builtin/packages/py-mda-xdrlib/package.py Normal file
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@ -0,0 +1,20 @@
# Copyright 2013-2023 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 PyMdaXdrlib(PythonPackage):
"""A stand-alone XDRLIB module extracted from CPython 3.10.8"""
homepage = "https://github.com/MDAnalysis/mda-xdrlib"
pypi = "mda_xdrlib/mda_xdrlib-0.2.0.tar.gz"
maintainers("RMeli")
version("0.2.0", sha256="f26f7158a83c32b96d15b530fce2cbc1190c4b7024e41faa4ab3e3db74e272af")
depends_on("py-setuptools@61.2:", type="build")
depends_on("py-tomli", when="^python@:3.10", type="build")

2
var/spack/repos/builtin/packages/py-panedr/package.py
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@ -15,9 +15,11 @@ class PyPanedr(PythonPackage):
maintainers("RMeli")
version("0.7.2", sha256="2181009a962dc35745348d1146608c64fb1ba3ef5ae74043416fef739d1409e4")
version("0.7.1", sha256="64c74863f72d51729ac5cb1e2dbb18747f7137588990c308ef8ca120fbf2ddd4")
# PyEDR is released together with PanEDR, therefore versions should match
depends_on("py-pyedr@0.7.2", type=("build", "run"), when="@0.7.2")
depends_on("py-pyedr@0.7.1", type=("build", "run"), when="@0.7.1")
depends_on("py-pandas", type=("build", "run"))

4
var/spack/repos/builtin/packages/py-pyedr/package.py
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@ -15,13 +15,13 @@ class PyPyedr(PythonPackage):
maintainers("RMeli")
version("0.7.2", sha256="8a02b7d94f97f99083c489568f7816ee8ed37e2efca0c1ba3a2e4b83e932d5b9")
version("0.7.1", sha256="ad7ccdeb739399acd11a25f2d2413ebb46a54223059a2b902ac604d29fabd767")
depends_on("python@3.6:", type=("build", "run"))
# Minimal NumPy version only specified in requirements.txt
depends_on("py-numpy@1.19.0:", type=("build", "run"))
depends_on("py-pbr", type=("build", "run"))
depends_on("py-tqdm", type=("build", "run"))
depends_on("py-mda-xdrlib", when="@0.7.2:", type=("build", "run"))
depends_on("py-setuptools", type="build")