diff options
Diffstat (limited to 'var')
| -rw-r--r-- | var/spack/repos/builtin/packages/py-pyscf/package.py | 5 |
1 files changed, 4 insertions, 1 deletions
diff --git a/var/spack/repos/builtin/packages/py-pyscf/package.py b/var/spack/repos/builtin/packages/py-pyscf/package.py index d0c36d5a79..d028f1a27d 100644 --- a/var/spack/repos/builtin/packages/py-pyscf/package.py +++ b/var/spack/repos/builtin/packages/py-pyscf/package.py @@ -16,6 +16,7 @@ class PyPyscf(PythonPackage): maintainers = ['naromero77'] + version('1.7.5', tag='v1.7.5') version('1.7.3', tag='v1.7.3') # dependencies @@ -27,7 +28,8 @@ class PyPyscf(PythonPackage): depends_on('blas') depends_on('libcint+coulomb_erf+f12') depends_on('libxc') - depends_on('xcfun@:2.0.0a2') # PySCF does not support recent version of the xcfun API' + depends_on('xcfun') + depends_on('xcfun@2.0.0a2', when='@:1.7.4') def setup_build_environment(self, env): # Tell PSCF where supporting libraries are located." @@ -36,6 +38,7 @@ class PyPyscf(PythonPackage): pyscf_search_dir = [] pyscf_search_dir.append(spec['blas'].prefix) pyscf_search_dir.append(spec['libcint'].prefix) + pyscf_search_dir.append(spec['libcint'].prefix.lib64) pyscf_search_dir.append(spec['libxc'].prefix) pyscf_search_dir.append(spec['xcfun'].prefix) pyscf_search_dir.append(spec['xcfun'].prefix.include.XCFun) |