[Bug 1790882] Review Request: python-pyscf - Python module for quantum chemistry

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https://bugzilla.redhat.com/show_bug.cgi?id=1790882

Robert-André Mauchin <zebob.m@xxxxxxxxx> changed:

           What    |Removed                     |Added
----------------------------------------------------------------------------
                 CC|                            |zebob.m@xxxxxxxxx



--- Comment #1 from Robert-André Mauchin <zebob.m@xxxxxxxxx> ---
 - Please remove shebangs in prep for all *.py files:

python3-pyscf.x86_64: E: non-executable-script
/usr/lib64/python3.8/site-packages/pyscf/ao2mo/__init__.py 644 /usr/bin/env
python
python3-pyscf.x86_64: E: non-executable-script
/usr/lib64/python3.8/site-packages/pyscf/ao2mo/_ao2mo.py 644 /usr/bin/env
python
python3-pyscf.x86_64: E: non-executable-script
/usr/lib64/python3.8/site-packages/pyscf/ao2mo/addons.py 644 /usr/bin/env
python
python3-pyscf.x86_64: E: non-executable-script
/usr/lib64/python3.8/site-packages/pyscf/ao2mo/incore.py 644 /usr/bin/env
python
python3-pyscf.x86_64: E: non-executable-script
/usr/lib64/python3.8/site-packages/pyscf/ao2mo/outcore.py 644 /usr/bin/env
python
python3-pyscf.x86_64: E: non-executable-script
/usr/lib64/python3.8/site-packages/pyscf/ao2mo/r_outcore.py 644 /usr/bin/env
python
python3-pyscf.x86_64: E: non-executable-script
/usr/lib64/python3.8/site-packages/pyscf/ao2mo/semi_incore.py 644 /usr/bin/env
python
and so on

 - Remove rpath:

python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libao2mo.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libcc.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libcgto.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libcvhf.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libdft.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libfci.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libhci.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libicmpspt.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libmbd.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libmcscf.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libnp_helper.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libpbc.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libri.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libsemiempirical.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libshciscf.so ['$ORIGIN',
'$ORIGIN/deps/lib']
python3-pyscf.x86_64: E: binary-or-shlib-defines-rpath
/usr/lib64/python3.8/site-packages/pyscf/lib/libxc_itrf.so ['$ORIGIN',
'$ORIGIN/deps/lib']

 Try setting -DCMAKE_SKIP_BUILD_RPATH=1 for that

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