Recent PySCF version 2.11.0 breaks PBC Cholesky

[bkesk]

As of PySCF version 2.11.0, the PBC Cholesky implementation in the afqmctools PySCF interface produces a Cholesky vectors with an unexpected shape.

    @pytest.mark.mpi
    @pytest.mark.skipif(no_mpi,reason="requires mpi4py")
    def test_modified_cholesky(self,setup,diamond,diamond_lda):
        from pyscf.pbc import df, tools
        cell = diamond
        mf,kpts = diamond_lda
        mydf = df.FFTDF(cell,kpts)
        comm = MPI.COMM_WORLD
    
        nmo_max = setup['nmo_max']
        nkpts = setup['nkpts']
        nmo_pk = setup['nmo_pk']
    
        nmo_tot = np.sum(nmo_pk)
        maxvecs = 20 * nmo_tot
        part = sc.Partition(
            comm=comm,
            maxvecs=maxvecs,
            nmo_tot=nmo_tot,
            nmo_max=nmo_max,
            nkpts=nkpts
            )
        gmap, Qi, ngs = sc.generate_grid_shifts(cell)
        X = [np.identity(C.shape[0]) for C in mf.mo_coeff]
        xik, xlj = sc.gen_orbital_products(cell, mydf, X,
                                           nmo_pk, ngs, part, kpts,
                                           nmo_max)
        kconserv = tools.get_kconserv(cell, kpts)
        solver = sc.Cholesky(part, kconserv, 1e-3, verbose=False)
        chol = solver.run(comm, xik, xlj, part, kpts,
                          nmo_pk, nmo_max, Qi, gmap)
    
        assert chol.shape == (4,64,53)
        assert np.isclose(np.max(np.abs(chol)),0.8077979869286759)
       assert len(chol[abs(chol)>1e-10]) == 6047

produces

>       assert len(chol[abs(chol)>1e-10]) == 6047
E       assert 6229 == 6047
E        +  where 6229 = len(array([-1.33363765e-14+4.20980784e-08j,  1.51173409e-09+3.05194614e-09j,\n        2.62971880e-14+4.20981441e-08j, ...,\n        1.99111350e-01-3.11225821e-10j,  4.55662019e-02+3.87804484e-07j,\n        1.93246101e-01+2.98462973e-32j], shape=(6229,)))

Triage is to look into what changes happened in PySCF. Cholesky is deterministic so we should get the same number of Cholesky vectors.