From 862ce517ce96c26c11825c691607ddeb3c36c164 Mon Sep 17 00:00:00 2001 From: Bernhard Kaindl <43588962+bernhardkaindl@users.noreply.github.com> Date: Tue, 12 Oct 2021 19:39:09 +0200 Subject: gromacs: @2018:2020: add #include for newer %gcc builds (#26678) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit gromacs@2018:2020.6 is fixed to build with gcc@11.2.0 by adding #include to a few header files. Thanks to Maciej Wójcik for testing versions. --- var/spack/repos/builtin/packages/gromacs/package.py | 14 ++++++++++++++ 1 file changed, 14 insertions(+) diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index defd362c95..aeb2da8c3e 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -172,6 +172,20 @@ class Gromacs(CMakePackage): relative_root=os.path.join('share', 'cmake', 'gromacs')) def patch(self): + # Otherwise build fails with GCC 11 (11.2) + if self.spec.satisfies('@2018:2020.6'): + filter_file('#include ', '#include \n#include ', + 'src/gromacs/awh/biasparams.h') + if self.spec.satisfies('@2018:2018.8'): + filter_file('#include ', '#include \n#include ', + 'src/gromacs/mdlib/minimize.cpp') + if self.spec.satisfies('@2019:2019.6,2020:2020.6'): + filter_file('#include ', '#include \n#include ', + 'src/gromacs/mdrun/minimize.cpp') + if self.spec.satisfies('@2020:2020.6'): + filter_file('#include ', '#include \n#include ', + 'src/gromacs/modularsimulator/modularsimulator.h') + if '+plumed' in self.spec: self.spec['plumed'].package.apply_patch(self) -- cgit v1.2.3-70-g09d2