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cp2k: update libvori and libxc dependencies (#23553)

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Tiziano Müller 2021-05-11 11:09:47 +02:00 committed by GitHub
parent fb207b80ce
commit aacba57e0a
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2 changed files with 8 additions and 3 deletions
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10
var/spack/repos/builtin/packages/cp2k/package.py
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@ -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 @@ def edit(self, spec, prefix):
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')

1
var/spack/repos/builtin/packages/libvori/package.py
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@ -14,6 +14,7 @@ class Libvori(CMakePackage):
maintainers = ['dev-zero']
version('210412', sha256='331886aea9d093d8c44b95a07fab13d47f101b1f94a0640d7d670eb722bf90ac')
version('201229', sha256='da0afb292c94f8de2aaebfd0b692d15ffd86083cb8a48478b07ca93823decc06')
version('201224', sha256='16f6c49eaa17ea23868925dbaae2eca71bdacbe50418c97d6c55e05728038f31')
version('201217', sha256='6ad456ed6ca5d28cadcc0d90eabe8fff5caa77b99f12764323de5e3ae21cddf5')