diff options
Diffstat (limited to 'var')
| -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 |