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| author | Rocco Meli <r.meli@bluemail.ch> | 2023-09-24 10:07:59 +0200 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2023-09-24 02:07:59 -0600 |
| commit | 582f0289af48073ca529a75cbe63502d8c82bcad (patch) | |
| tree | 627ecc8e05b7ba28c7b3be4e1156434a78370f38 /var | |
| parent | 95b737d9238d14f388c58e65fdb77e3538be8473 (diff) | |
| download | spack-582f0289af48073ca529a75cbe63502d8c82bcad.tar.gz spack-582f0289af48073ca529a75cbe63502d8c82bcad.tar.bz2 spack-582f0289af48073ca529a75cbe63502d8c82bcad.tar.xz spack-582f0289af48073ca529a75cbe63502d8c82bcad.zip | |
Add mda-xdrlib and update pyedr and panedr (#39912)
* 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>
Diffstat (limited to 'var')
| -rw-r--r-- | var/spack/repos/builtin/packages/py-mda-xdrlib/package.py | 20 | ||||
| -rw-r--r-- | var/spack/repos/builtin/packages/py-panedr/package.py | 2 | ||||
| -rw-r--r-- | var/spack/repos/builtin/packages/py-pyedr/package.py | 4 |
3 files changed, 24 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/py-mda-xdrlib/package.py b/var/spack/repos/builtin/packages/py-mda-xdrlib/package.py new file mode 100644 index 0000000000..e33c835486 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-mda-xdrlib/package.py @@ -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") diff --git a/var/spack/repos/builtin/packages/py-panedr/package.py b/var/spack/repos/builtin/packages/py-panedr/package.py index ceebb267c3..f1304ea809 100644 --- a/var/spack/repos/builtin/packages/py-panedr/package.py +++ b/var/spack/repos/builtin/packages/py-panedr/package.py @@ -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")) diff --git a/var/spack/repos/builtin/packages/py-pyedr/package.py b/var/spack/repos/builtin/packages/py-pyedr/package.py index c7efe5f859..880ffe339a 100644 --- a/var/spack/repos/builtin/packages/py-pyedr/package.py +++ b/var/spack/repos/builtin/packages/py-pyedr/package.py @@ -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") |