From 9173fd7c61ef8a25dbe9d18717fcaf1dddcb52cd Mon Sep 17 00:00:00 2001 From: Christoph Junghans Date: Mon, 21 Feb 2022 10:23:00 -0700 Subject: votca: fix git url and allow build without xtp parts (#29056) * votca: fix git url * Votca: add xtp variant --- var/spack/repos/builtin/packages/votca/package.py | 18 +++++++++++------- 1 file changed, 11 insertions(+), 7 deletions(-) diff --git a/var/spack/repos/builtin/packages/votca/package.py b/var/spack/repos/builtin/packages/votca/package.py index a93618708c..983335774f 100644 --- a/var/spack/repos/builtin/packages/votca/package.py +++ b/var/spack/repos/builtin/packages/votca/package.py @@ -15,7 +15,7 @@ class Votca(CMakePackage): """ homepage = "https://www.votca.org" url = "https://github.com/votca/votca/tarball/v2022-rc.1" - git = "https://github.com/votca/xtp.git" + git = "https://github.com/votca/votca.git" maintainers = ['junghans'] version('master', branch='master') @@ -24,6 +24,7 @@ class Votca(CMakePackage): variant('mkl', default=False, description='Build with MKL support') variant('new-gmx', default=False, description='Build against gromacs>2019 - no tabulated kernels') + variant('xtp', default=True, description='Build xtp parts of votca') conflicts('votca-tools') conflicts('votca-csg') conflicts('votca-xtp') @@ -34,14 +35,17 @@ class Votca(CMakePackage): depends_on("eigen@3.3:") depends_on("boost") depends_on('mkl', when='+mkl') - depends_on("libxc") depends_on("hdf5+cxx~mpi") - depends_on("libint@2.6.0:") - depends_on("libecpint") - depends_on("py-h5py") - depends_on("py-lxml") depends_on("gromacs~mpi@5.1:") depends_on("gromacs~mpi@5.1:2019", when="~new-gmx") + + with when('+xtp'): + depends_on("libxc") + depends_on("libint@2.6.0:") + depends_on("libecpint") + depends_on("py-h5py") + depends_on("py-lxml") + depends_on('lammps', type='test') depends_on('py-espresso', type='test') depends_on('py-pytest', type='test') @@ -49,7 +53,7 @@ class Votca(CMakePackage): def cmake_args(self): args = [ '-DINSTALL_RC_FILES=OFF', - '-DBUILD_XTP=ON', + self.define_from_variant('BUILD_XTP', 'xtp'), '-DBUILD_CSGAPPS=ON', ] -- cgit v1.2.3-70-g09d2