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Update setup.py and install doc
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doc/source/install.rst

Lines changed: 5 additions & 1 deletion
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@@ -15,7 +15,11 @@ environment, PySCF package can be installed with::
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Installation with pip
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=====================
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Install from PyPI::
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To install from PyPI, you need to first install the dependent libraries::
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$ pip install numpy scipy h5py
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Then install PySCF::
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$ pip install pyscf
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setup.py

Lines changed: 3 additions & 3 deletions
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@@ -74,9 +74,8 @@ def get_version():
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pyscf_lib_dir = os.path.join(topdir, 'pyscf', 'lib')
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build_lib_dir = os.path.join('build', distutils_lib_dir, 'pyscf', 'lib')
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default_lib_dir = [os.path.join(pyscf_lib_dir,'deps','lib'), build_lib_dir] + blas_lib_dir
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default_include = ['.', 'build', pyscf_lib_dir,
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os.path.join(pyscf_lib_dir,'deps','include')] + blas_include
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default_lib_dir = [build_lib_dir] + blas_lib_dir
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default_include = ['.', 'build', pyscf_lib_dir] + blas_include
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if not os.path.exists(os.path.join(topdir, 'build')):
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os.mkdir(os.path.join(topdir, 'build'))
@@ -183,6 +182,7 @@ def search_inc_path(incname, extra_paths=None):
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extensions.append(
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make_ext('pyscf.lib.libcint', 'libcint/src', srcs, blas_library)
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)
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default_include.append(os.path.join(pyscf_lib_dir, 'libcint','src'))
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else:
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print("****************************************************************")
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print("*** WARNING: libcint library not found.")

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