add spline #5
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| dependencies: | |
| - openmpi-mpicc | |
| - gfortran | |
| - gcc | |
| - gxx | |
| - libxc | |
| - conda-forge::fftw | |
| - mkl | |
| - mkl-devel | |
| - mkl-include | |
| - mkl_fft | |
| - ase>=3.22.0 | |
| - h5py>=3.6.0 | |
| - interpolation==2.2.1 | |
| - numba<=0.58 | |
| - numpy>=1.20.3,<1.25 | |
| - pyscf>=2.1 | |
| - pyyaml | |
| - scikit-learn>=1.0.1 | |
| - scipy>=1.7.1 | |
| - sympy |