From adc56ac792d6e4f47acd0eae7a7b10b45d00c958 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Maciej=20W=C3=B3jcik?= Date: Sun, 14 Jan 2024 15:15:05 +0100 Subject: [PATCH] Fix packages inheriting GROMACS, add new versions (#42076) * Fix inheritance of GROMACS derived packages, add new versions * Reformatting --- .../packages/gromacs-chain-coordinate/package.py | 13 ++++++++++++- .../repos/builtin/packages/gromacs-swaxs/package.py | 13 ++++++++++++- 2 files changed, 24 insertions(+), 2 deletions(-) diff --git a/var/spack/repos/builtin/packages/gromacs-chain-coordinate/package.py b/var/spack/repos/builtin/packages/gromacs-chain-coordinate/package.py index bc9ca53f293..d5160ebf4bc 100644 --- a/var/spack/repos/builtin/packages/gromacs-chain-coordinate/package.py +++ b/var/spack/repos/builtin/packages/gromacs-chain-coordinate/package.py @@ -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 diff --git a/var/spack/repos/builtin/packages/gromacs-swaxs/package.py b/var/spack/repos/builtin/packages/gromacs-swaxs/package.py index e6bf451be63..bea5a16102a 100644 --- a/var/spack/repos/builtin/packages/gromacs-swaxs/package.py +++ b/var/spack/repos/builtin/packages/gromacs-swaxs/package.py @@ -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