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| author | Mark Abraham <Mark.J.Abraham@gmail.com> | 2021-09-10 00:38:31 +0200 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2021-09-09 16:38:31 -0600 |
| commit | 9084ad69b453e14b47e60210e60d76f58e001721 (patch) | |
| tree | f15a4739ccbbb1fb5d6595078a01c5d96296b1ca /var/spack/repos/builtin/packages/gromacs | |
| parent | 59d8031076b438007d1a9293d51f5b7e32e07820 (diff) | |
| download | spack-9084ad69b453e14b47e60210e60d76f58e001721.tar.gz spack-9084ad69b453e14b47e60210e60d76f58e001721.tar.bz2 spack-9084ad69b453e14b47e60210e60d76f58e001721.tar.xz spack-9084ad69b453e14b47e60210e60d76f58e001721.zip | |
Have GROMACS log files indicate spack was used (#25869)
Knowing that spack has patched the code and organized the build is potentially valuable information for GROMACS users and developers troubleshooting their builds.
PLUMED does further patches to GROMACS, so that is expressed directly also.
Diffstat (limited to 'var/spack/repos/builtin/packages/gromacs')
| -rw-r--r-- | var/spack/repos/builtin/packages/gromacs/package.py | 6 |
1 files changed, 6 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index 102d484122..221be3a4f4 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -390,4 +390,10 @@ class Gromacs(CMakePackage): options.append('-DFFTWF_LIBRARIES={0}'. format(self.spec['amdfftw'].libs.joined(';'))) + # Ensure that the GROMACS log files report how the code was patched + # during the build, so that any problems are easier to diagnose. + if '+plumed' in self.spec: + options.append('-DGMX_VERSION_STRING_OF_FORK=PLUMED-spack') + else: + options.append('-DGMX_VERSION_STRING_OF_FORK=spack') return options |