diff options
Diffstat (limited to 'var')
| -rw-r--r-- | var/spack/repos/builtin/packages/gromacs/package.py | 20 |
1 files changed, 7 insertions, 13 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index 8611dc2026..d079188db6 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -25,7 +25,7 @@ from spack import * -class Gromacs(Package): +class Gromacs(CMakePackage): """GROMACS (GROningen MAchine for Chemical Simulations) is a molecular dynamics package primarily designed for simulations of proteins, lipids and nucleic acids. It was originally developed in the Biophysical @@ -64,28 +64,22 @@ class Gromacs(Package): if '+plumed' in self.spec: self.spec['plumed'].package.apply_patch(self) - def install(self, spec, prefix): + def cmake_args(self): options = [] - if '+mpi' in spec: + if '+mpi' in self.spec: options.append('-DGMX_MPI:BOOL=ON') - if '+double' in spec: + if '+double' in self.spec: options.append('-DGMX_DOUBLE:BOOL=ON') - if '~shared' in spec: + if '~shared' in self.spec: options.append('-DBUILD_SHARED_LIBS:BOOL=OFF') - if '+debug' in spec: + if '+debug' in self.spec: options.append('-DCMAKE_BUILD_TYPE:STRING=Debug') else: options.append('-DCMAKE_BUILD_TYPE:STRING=Release') - options.extend(std_cmake_args) - - with working_dir('spack-build', create=True): - - cmake('..', *options) - make() - make('install') + return options |