wip: rationalise static_argnum usage

[hatemhelal]

No description provided.

[hatemhelal]

Looks like this could introduce a significant performance penalty. here is the benchmark difference comparing this branch (0001) to main (0002)

uv run pytest-benchmark compare 0001 0002

------------------------------------------------------------------------------------------------------------------------ benchmark: 28 tests ------------------------------------------------------------------------------------------------------------------------
Name (time in us)                                                    Min                       Max                      Mean                  StdDev                    Median                     IQR            Outliers          OPS            Rounds  Iterations
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test_integrals[overlap_basis-h2] (0002_ef11274)                  28.4580 (1.0)             48.7080 (1.0)             32.2235 (1.0)            6.0933 (2.83)            29.7500 (1.0)            2.3965 (2.30)          1;2  31,033.2084 (1.0)          11           1
test_integrals[overlap_basis-h2] (0001_3130fa7)                  37.2080 (1.31)            77.9580 (1.60)            47.1136 (1.46)           2.1500 (1.0)             46.8750 (1.58)           1.0420 (1.0)       560;568  21,225.2961 (0.68)       3007           1
test_integrals[kinetic_basis-h2] (0002_ef11274)                  65.2500 (2.29)            85.4170 (1.75)            72.1875 (2.24)           6.9847 (3.25)            68.3545 (2.30)           9.6880 (9.30)          3;0  13,852.8138 (0.45)         12           1
test_integrals[kinetic_basis-h2] (0001_3130fa7)                  79.8750 (2.81)           105.7910 (2.17)            91.2033 (2.83)           7.9381 (3.69)            90.5410 (3.04)           9.5420 (9.16)          3;0  10,964.5114 (0.35)          9           1
test_integrals[overlap_basis-water] (0002_ef11274)               81.4580 (2.86)           101.8330 (2.09)            91.1903 (2.83)           7.0898 (3.30)            92.6660 (3.11)          10.3237 (9.91)          3;0  10,966.0805 (0.35)          7           1
test_integrals[overlap_basis-water] (0001_3130fa7)              100.0000 (3.51)           150.8340 (3.10)           113.2956 (3.52)           3.8571 (1.79)           112.9580 (3.80)           3.7612 (3.61)       300;72   8,826.4645 (0.28)       1353           1
test_integrals[kinetic_basis-water] (0002_ef11274)              271.7080 (9.55)           307.1670 (6.31)           290.0833 (9.00)          10.1393 (4.72)           289.8330 (9.74)          13.3960 (12.86)         5;0   3,447.2856 (0.11)         13           1
test_integrals[kinetic_basis-water] (0001_3130fa7)              284.6670 (10.00)          353.4170 (7.26)           302.6392 (9.39)          18.7850 (8.74)           297.6880 (10.01)         18.1875 (17.45)         1;1   3,304.2650 (0.11)         12           1
test_integrals[nuclear_basis-h2] (0002_ef11274)                 586.1670 (20.60)          621.4580 (12.76)          598.5250 (18.57)         14.1794 (6.60)           591.4160 (19.88)         17.6352 (16.92)         1;0   1,670.7740 (0.05)          5           1
test_integrals[nuclear_basis-h2] (0001_3130fa7)                 603.8330 (21.22)          643.7920 (13.22)          614.6836 (19.08)         16.6205 (7.73)           606.7920 (20.40)         15.1775 (14.57)         1;1   1,626.8532 (0.05)          5           1
test_construct_basis (0001_3130fa7)                           3,136.1660 (110.20)       4,091.9590 (84.01)        3,256.1222 (101.05)       122.6497 (57.05)        3,227.9590 (108.50)        85.1982 (81.76)       20;18     307.1138 (0.01)        229           1
test_construct_basis (0002_ef11274)                           4,633.0420 (162.80)       5,262.9170 (108.05)       4,878.8542 (151.41)       177.2692 (82.45)        4,875.4585 (163.88)       251.5830 (241.44)        5;0     204.9662 (0.01)         14           1
test_integrals[nuclear_basis-water] (0002_ef11274)            4,691.5840 (164.86)       4,812.3750 (98.80)        4,766.3265 (147.91)        52.7456 (24.53)        4,786.1665 (160.88)        94.3330 (90.53)         1;0     209.8052 (0.01)          6           1
test_integrals[nuclear_basis-water] (0001_3130fa7)            4,821.6250 (169.43)       4,883.2500 (100.26)       4,842.8809 (150.29)        20.2663 (9.43)         4,836.0830 (162.56)        18.3435 (17.60)         2;1     206.4887 (0.01)          7           1
test_benzene[overlap_basis_zeropad] (0002_ef11274)           10,957.6670 (385.05)      11,717.2910 (240.56)      11,358.4281 (352.49)       220.6782 (102.64)      11,357.3750 (381.76)       297.0412 (285.07)        3;0      88.0404 (0.00)         11           1
test_benzene[overlap_basis_zeropad] (0001_3130fa7)           12,664.0000 (445.01)      13,201.8750 (271.04)      12,907.0521 (400.55)       163.0807 (75.85)       12,902.6460 (433.70)       195.8330 (187.94)        2;0      77.4770 (0.00)          8           1
test_benzene[overlap_basis] (0002_ef11274)                   14,071.5420 (494.47)      15,057.0420 (309.13)      14,446.4836 (448.32)       385.7960 (179.44)      14,353.5420 (482.47)       512.9685 (492.29)        1;0      69.2210 (0.00)          5           1
test_minimise_ks[h2] (0001_3130fa7)                          15,412.8750 (541.60)      15,966.8750 (327.81)      15,580.7832 (483.52)       226.2893 (105.25)      15,478.8750 (520.30)       246.7813 (236.83)        1;0      64.1816 (0.00)          5           1
test_minimise_ks[h2] (0002_ef11274)                          15,682.5420 (551.08)      15,953.0840 (327.52)      15,757.7252 (489.01)       112.0174 (52.10)       15,704.0420 (527.87)       105.6050 (101.35)        1;0      63.4609 (0.00)          5           1
test_benzene[overlap_basis] (0001_3130fa7)                   16,347.6250 (574.45)      17,655.5420 (362.48)      16,842.2770 (522.67)       380.0736 (176.78)      16,660.7710 (560.03)       660.6670 (634.03)       12;0      59.3744 (0.00)         34           1
test_integrals[eri_basis_sparse-h2] (0002_ef11274)           24,645.8750 (866.04)      26,429.3330 (542.61)      25,552.7166 (792.98)       825.8354 (384.11)      25,622.7080 (861.27)     1,574.1142 (>1000.0)       2;0      39.1348 (0.00)          5           1
test_integrals[eri_basis_sparse-h2] (0001_3130fa7)           57,611.8750 (>1000.0)     62,659.0420 (>1000.0)     59,812.3336 (>1000.0)    2,197.7009 (>1000.0)     60,043.3750 (>1000.0)    3,845.8852 (>1000.0)       2;0      16.7190 (0.00)          5           1
test_benzene[kinetic_basis] (0002_ef11274)                   91,748.8750 (>1000.0)    120,442.3330 (>1000.0)    104,438.0582 (>1000.0)   13,412.1229 (>1000.0)     97,810.8750 (>1000.0)   24,043.6455 (>1000.0)       1;0       9.5751 (0.00)          5           1
test_benzene[kinetic_basis] (0001_3130fa7)                   96,919.6670 (>1000.0)    104,186.0830 (>1000.0)     99,839.2084 (>1000.0)    2,790.1352 (>1000.0)     98,786.0840 (>1000.0)    3,507.4475 (>1000.0)       2;0      10.0161 (0.00)          5           1
test_minimise_ks[water] (0002_ef11274)                      125,824.3330 (>1000.0)    127,106.4590 (>1000.0)    126,490.8168 (>1000.0)      519.0196 (241.40)     126,538.2920 (>1000.0)      853.0315 (818.64)        2;0       7.9057 (0.00)          5           1
test_minimise_ks[water] (0001_3130fa7)                      127,133.2910 (>1000.0)    128,955.2920 (>1000.0)    127,820.8082 (>1000.0)      773.5417 (359.79)     127,522.8330 (>1000.0)    1,230.4685 (>1000.0)       1;0       7.8235 (0.00)          5           1
test_integrals[eri_basis_sparse-water] (0002_ef11274)     2,097,725.4590 (>1000.0)  2,633,328.2500 (>1000.0)  2,256,752.0416 (>1000.0)  217,157.7874 (>1000.0)  2,174,164.9170 (>1000.0)  213,293.4478 (>1000.0)       1;0       0.4431 (0.00)          5           1
test_integrals[eri_basis_sparse-water] (0001_3130fa7)     4,014,799.7500 (>1000.0)  4,074,403.3340 (>1000.0)  4,049,987.8250 (>1000.0)   22,545.6908 (>1000.0)  4,052,113.4160 (>1000.0)   28,191.4278 (>1000.0)       2;0       0.2469 (0.00)          5           1
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