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Fix packages inheriting GROMACS, add new versions (#42076)

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* Fix inheritance of GROMACS derived packages, add new versions

* Reformatting
This commit is contained in:
Maciej Wójcik 2024-01-14 15:15:05 +01:00 committed by GitHub
parent d9b0c4ee80
commit adc56ac792
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GPG key ID: 4AEE18F83AFDEB23
2 changed files with 24 additions and 2 deletions
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13
var/spack/repos/builtin/packages/gromacs-chain-coordinate/package.py
View file

@ -4,6 +4,7 @@
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack.package import *
from spack.pkg.builtin.gromacs import CMakeBuilder as GromacsCMakeBuilder
from spack.pkg.builtin.gromacs import Gromacs
@ -14,12 +15,18 @@ class GromacsChainCoordinate(Gromacs):
"""
homepage = "https://gitlab.com/cbjh/gromacs-chain-coordinate/-/blob/main/README.md"
url = "https://gitlab.com/cbjh/gromacs-chain-coordinate/-/archive/release-2021.chaincoord-0.2/gromacs-chain-coordinate-release-2021.chaincoord-0.2.tar.bz2"
url = "https://gitlab.com/cbjh/gromacs-chain-coordinate/-/archive/release-2021.chaincoord-0.3/gromacs-chain-coordinate-release-2021.chaincoord-0.3.tar.bz2"
git = "https://gitlab.com/cbjh/gromacs-chain-coordinate.git"
maintainers("w8jcik")
version("main", branch="main")
version(
"2021.5-0.3",
sha256="64ec5f385445ae43dfec8c27198034c0ba641863ab856c8c29798a4c83016baa",
url="https://gitlab.com/cbjh/gromacs-chain-coordinate/-/archive/release-2021.chaincoord-0.3/gromacs-chain-coordinate-release-2021.chaincoord-0.3.tar.bz2",
)
version(
"2021.5-0.2",
sha256="33dda1e39cd47c5ae32b5455af8534225d3888fd7e4968f499b8483620fa770a",
@ -56,3 +63,7 @@ def check(self):
self._if_make_target_execute("check")
elif self.generator == "Ninja":
self._if_ninja_target_execute("check")
class CMakeBuilder(GromacsCMakeBuilder):
pass

13
var/spack/repos/builtin/packages/gromacs-swaxs/package.py
View file

@ -4,6 +4,7 @@
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack.package import *
from spack.pkg.builtin.gromacs import CMakeBuilder as GromacsCMakeBuilder
from spack.pkg.builtin.gromacs import Gromacs
@ -11,10 +12,16 @@ class GromacsSwaxs(Gromacs):
"""Modified Gromacs for small-angle scattering calculations (SAXS/WAXS/SANS)"""
homepage = "https://biophys.uni-saarland.de/swaxs.html"
url = "https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.1/gromacs-swaxs-release-2019.swaxs-0.1.tar.bz2"
url = "https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.5/gromacs-swaxs-release-2021.swaxs-0.5.tar.bz2"
git = "https://gitlab.com/cbjh/gromacs-swaxs.git"
maintainers("w8jcik")
version(
"2021.5-0.5",
sha256="7207f107dc6c4009a04a533e18545666d4f58c172b2b24d04442bb1a0f43ff44",
url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.5/gromacs-swaxs-release-2021.swaxs-0.5.tar.bz2",
)
version(
"2021.5-0.4",
sha256="9f8ed6d448a04789d45e847cbbc706a07130377f578388220a9d5357fae9d1c3",
@ -151,3 +158,7 @@ def __init__(self, spec):
super().__init__(spec)
self.remove_parent_versions()
class CMakeBuilder(GromacsCMakeBuilder):
pass