diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/gamess-ri-mp2-miniapp/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/gamess-ri-mp2-miniapp/package.py | 32 |
1 files changed, 16 insertions, 16 deletions
diff --git a/var/spack/repos/builtin/packages/gamess-ri-mp2-miniapp/package.py b/var/spack/repos/builtin/packages/gamess-ri-mp2-miniapp/package.py index 823cd51cd8..de700408ce 100644 --- a/var/spack/repos/builtin/packages/gamess-ri-mp2-miniapp/package.py +++ b/var/spack/repos/builtin/packages/gamess-ri-mp2-miniapp/package.py @@ -8,37 +8,37 @@ from spack.package import * class GamessRiMp2Miniapp(MakefilePackage): """The GAMESS RI-MP2 mini-app computes the correlation energy with the - Hartree-Fock energy and wave-function given as inputs. The inputs - were generated from GAMESS.""" + Hartree-Fock energy and wave-function given as inputs. The inputs + were generated from GAMESS.""" - tags = ['proxy-app'] + tags = ["proxy-app"] homepage = "https://github.com/jkwack/GAMESS_RI-MP2_MiniApp" - url = "https://github.com/jkwack/GAMESS_RI-MP2_MiniApp/archive/1.5.tar.gz" + url = "https://github.com/jkwack/GAMESS_RI-MP2_MiniApp/archive/1.5.tar.gz" - version('1.5', sha256='0ff4e8e556caa99ce1ab85c53e78932a32d2e2fa3c5d883fa321d5000f8a731e') + version("1.5", sha256="0ff4e8e556caa99ce1ab85c53e78932a32d2e2fa3c5d883fa321d5000f8a731e") - depends_on('mpi') - depends_on('lapack') + depends_on("mpi") + depends_on("lapack") - build_directory = 'build_and_run' + build_directory = "build_and_run" @property def build_targets(self): targets = [ - 'rimp2-serial', - 'SDIR=../source', - 'FFLAGS_SERIAL=-cpp ' + self.compiler.openmp_flag, - 'LDFLAGS_ESSL={0}'.format(self.spec['lapack'].libs.ld_flags) + "rimp2-serial", + "SDIR=../source", + "FFLAGS_SERIAL=-cpp " + self.compiler.openmp_flag, + "LDFLAGS_ESSL={0}".format(self.spec["lapack"].libs.ld_flags), ] return targets def edit(self, spec, prefix): - with working_dir('build_and_run'): - copy('Makefile_OLCF', 'Makefile') + with working_dir("build_and_run"): + copy("Makefile_OLCF", "Makefile") def install(self, spec, prefix): mkdirp(prefix.bin) - with working_dir('build_and_run'): - install('rimp2-serial', prefix.bin) + with working_dir("build_and_run"): + install("rimp2-serial", prefix.bin) |