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py-pyscf: add version 1.7.5. (#20135)

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Toyohisa Kameyama 2020-11-30 16:46:38 +09:00 committed by GitHub
parent 52986f3b0c
commit 0d25a48a13
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1 changed files with 4 additions and 1 deletions
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var/spack/repos/builtin/packages/py-pyscf/package.py
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@ -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 @@ def setup_build_environment(self, env):
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)