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| author | Tiziano Müller <tiziano.mueller@chem.uzh.ch> | 2021-05-11 11:09:47 +0200 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2021-05-11 11:09:47 +0200 |
| commit | aacba57e0a96973e450ac5ad7ce26ef942037e2f (patch) | |
| tree | 22e1317c56a9614b71d63d8d37177a9774f11ff7 /var/spack/repos/builtin/packages/cp2k | |
| parent | fb207b80cea1cf2df419afd61dbc672bcbcf3c05 (diff) | |
| download | spack-aacba57e0a96973e450ac5ad7ce26ef942037e2f.tar.gz spack-aacba57e0a96973e450ac5ad7ce26ef942037e2f.tar.bz2 spack-aacba57e0a96973e450ac5ad7ce26ef942037e2f.tar.xz spack-aacba57e0a96973e450ac5ad7ce26ef942037e2f.zip | |
cp2k: update libvori and libxc dependencies (#23553)
Diffstat (limited to 'var/spack/repos/builtin/packages/cp2k')
| -rw-r--r-- | var/spack/repos/builtin/packages/cp2k/package.py | 10 |
1 files changed, 7 insertions, 3 deletions
diff --git a/var/spack/repos/builtin/packages/cp2k/package.py b/var/spack/repos/builtin/packages/cp2k/package.py index 161606d48f..0b2462c6ca 100644 --- a/var/spack/repos/builtin/packages/cp2k/package.py +++ b/var/spack/repos/builtin/packages/cp2k/package.py @@ -95,7 +95,7 @@ class Cp2k(MakefilePackage, CudaPackage): depends_on('libxc@2.2.2:3.99.0', when='+libxc@:5.5999', type='build') depends_on('libxc@4.0.3:4.99.0', when='+libxc@6.0:6.9', type='build') depends_on('libxc@4.0.3:4.99.0', when='+libxc@7.0:8.1') - depends_on('libxc@5.1.2', when='+libxc@9.0:') + depends_on('libxc@5.1.3:5.1.99', when='+libxc@8.2:') depends_on('mpi@2:', when='+mpi') depends_on('scalapack', when='+mpi') @@ -128,7 +128,8 @@ class Cp2k(MakefilePackage, CudaPackage): depends_on('py-numpy', when='@7:+cuda', type='build') depends_on('python@3.6:', when='@7:+cuda', type='build') - depends_on('libvori@201219:', when='@8:+libvori', type='build') + depends_on('libvori@201219:', when='@8.1+libvori', type='build') + depends_on('libvori@210412:', when='@8.2:+libvori', type='build') depends_on('spglib', when='+spglib') # PEXSI, ELPA, COSMA and SIRIUS depend on MPI @@ -401,7 +402,10 @@ class Cp2k(MakefilePackage, CudaPackage): libs.append(str(libxc.libs)) else: fcflags += pkgconf('--cflags', 'libxcf03', output=str).split() - libs += pkgconf('--libs', 'libxcf03', output=str).split() + # some Fortran functions seem to be direct wrappers of the + # C functions such that we get a direct dependency on them, + # requiring `-lxc` to be present in addition to `-lxcf03` + libs += pkgconf('--libs', 'libxcf03', 'libxc', output=str).split() if '+pexsi' in spec: cppflags.append('-D__LIBPEXSI') |