diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/abinit/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/abinit/package.py | 12 |
1 files changed, 6 insertions, 6 deletions
diff --git a/var/spack/repos/builtin/packages/abinit/package.py b/var/spack/repos/builtin/packages/abinit/package.py index fe1c7ec778..d73b89ea69 100644 --- a/var/spack/repos/builtin/packages/abinit/package.py +++ b/var/spack/repos/builtin/packages/abinit/package.py @@ -33,9 +33,9 @@ class Abinit(AutotoolsPackage): energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave - or wavelet basis. - - ABINIT also includes options to optimize the geometry according to the + or wavelet basis. + + ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulations using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors, based on Density-Functional @@ -149,7 +149,7 @@ class Abinit(AutotoolsPackage): # LibXC library libxc = spec['libxc:fortran'] options.extend([ - 'with_libxc_incs={0}'.format(libxc.cppflags), + 'with_libxc_incs={0}'.format(libxc.headers.cpp_flags), 'with_libxc_libs={0}'.format(libxc.libs.ld_flags + ' -lm') ]) @@ -161,7 +161,7 @@ class Abinit(AutotoolsPackage): hdf5 = spec['hdf5:hl'] netcdff = spec['netcdf-fortran:shared'] options.extend([ - '--with-netcdf-incs={0}'.format(netcdff.cppflags), + '--with-netcdf-incs={0}'.format(netcdff.headers.cpp_flags), '--with-netcdf-libs={0}'.format( netcdff.libs.ld_flags + ' ' + hdf5.libs.ld_flags ), @@ -175,7 +175,7 @@ class Abinit(AutotoolsPackage): def check(self): """This method is called after the build phase if tests have been - explicitly activated by user. + explicitly activated by user. """ make('check') make('tests_in') |