fix: Use executorlib with context

[jan-janssen]

No description provided.

[jan-janssen]

Based on https://executorlib.readthedocs.io/en/latest/4-developer.html#external-libraries

[jan-janssen]

Based on https://executorlib.readthedocs.io/en/latest/4-developer.html#external-libraries

[github-actions]

Coverage Report

File	Stmts	Miss	Cover	Missing
__init__.py	19	0	100%
io_utils.py	57	41	28%	76–85, 106–111, 135–142, 144, 170–172, 174–179, 181–187
mass.py	4	0	100%
neighbors.py	34	0	100%
shared.py	16	7	56%	25–27, 61, 64, 67, 69
structure.py	365	157	56%	106–107, 144–145, 268, 270–271, 273–275, 278, 280–281, 305–306, 308–309, 325–327, 339–340, 361–362, 369–370, 376, 380–382, 388–390, 393–394, 400–401, 410–411, 416–417, 419–420, 422–423, 507, 526–527, 538–539, 552–553, 689–691, 700–701, 707, 714–715, 721–722, 727, 754, 760, 777, 779–780, 782–783, 786, 788–790, 793, 795–796, 799, 801, 803–806, 809–813, 816, 819–820, 823, 851–854, 856–857, 859–860, 862–864, 867–869, 871–873, 875–878, 880, 882–889, 891–895, 898, 900, 949, 951, 954, 964, 976, 978–982, 985–986, 988–991, 994–1000, 1002–1004, 1007, 1009
analysis
__init__.py	0	0	100%
bond_angle_distribution.py	32	26	18%	52, 54, 62–83, 89–90
cavities.py	19	11	42%	59–60, 63, 65–66, 69–70, 73–74, 77, 79
cte.py	30	27	10%	57, 71–78, 80–81, 83–88, 90–91, 93–94, 126–128, 131–132, 134
qn_network_connectivity.py	30	2	93%	103–104
radial_distribution_functions.py	68	53	22%	57–60, 62–63, 65–67, 69–71, 73–77, 79, 119, 121–123, 125–126, 129–131, 134–136, 139, 142–143, 146–147, 150–152, 154, 156–159, 162–163, 165–167, 169–172, 174
rings.py	40	30	25%	71–76, 78–79, 81, 83–85, 87–88, 90–94, 96, 121–130
potentials
__init__.py	0	0	100%
bjp_potential.py	34	29	14%	45–46, 49, 56–58, 60, 68, 71–74, 77, 85–93, 95–99, 101, 103
pmmcs_potential.py	38	34	10%	56–57, 60–63, 65–66, 68–69, 71–73, 75, 84, 86–89, 91, 99–105, 109–113, 117, 119
potential.py	13	8	38%	28–35
shik_potential.py	84	73	13%	67–69, 71–73, 80–81, 83–86, 88–93, 95, 111–115, 117–118, 128–129, 131–132, 134–135, 138–143, 145–147, 150, 161–162, 164–165, 167–170, 173–180, 182, 184–187, 189, 191–195, 197–199, 201
workflows
__init__.py	0	0	100%
cte.py	205	184	10%	28–29, 32–33, 36–37, 40, 42, 117–118, 121, 148–150, 152, 154, 159, 176–178, 180–187, 189–192, 194, 210–212, 214–219, 221–226, 228–233, 235–240, 242–247, 337, 340, 343, 345–346, 349, 352, 366, 369, 376, 383, 390, 399–410, 439–447, 449–451, 453–454, 462–465, 467–473, 475–483, 485–492, 494, 520–522, 547–548, 550–553, 555, 659, 662, 667, 670, 673, 676, 679–680, 683, 686, 702, 718–720, 723–726, 729–730, 733, 749–751, 754, 765–777, 780–781, 783
elastic_mod.py	80	66	17%	84–85, 88, 91, 119, 121, 143–144, 146, 149, 151, 193–196, 199–202, 204, 230–233, 235–238, 240–241, 243, 311, 313–314, 322, 327, 342, 346–348, 350, 353, 367–368, 371–377, 380–387, 389, 391, 394–397, 399
md.py	21	13	38%	76–77, 80, 83, 111, 113, 166, 168–169, 177, 182, 197, 199
meltquench.py	37	28	24%	82–83, 86, 90–91, 93–94, 96, 98, 100, 127, 129, 154–156, 159, 161, 221–223, 225, 228–231, 234, 251, 253
meltquench_protocols.py	37	29	21%	54, 65, 75, 83, 92, 101, 108, 129, 140, 151, 160, 170, 179, 186, 207, 218, 227, 237, 242, 252, 261, 271, 279, 332–335, 337–338
shared.py	11	10	9%	21–25, 27–29, 31–32
structural_analysis.py	242	196	19%	113–114, 116–118, 121, 123–128, 130–132, 134, 155–160, 162–163, 165–167, 169–176, 178, 180, 197–198, 201–204, 206–209, 211, 213–221, 223–227, 229, 245, 248–251, 253, 255–259, 261, 263–267, 269, 271–275, 278–281, 283, 285–286, 289–293, 297–301, 303–304, 307–308, 310, 314–321, 323, 340–344, 346, 359–365, 367, 384–390, 392, 406–410, 412, 428, 431–435, 449, 454–458, 460, 475–476, 478–479, 481–484, 486, 501–502, 532–533, 536, 562, 564–567, 570, 579–582, 585–588, 591–594, 597–601, 603
viscosity.py	147	42	71%	80–81, 84, 87, 115, 117, 166, 168–169, 177, 182, 197, 212, 225, 227, 269, 315–316, 318–319, 321–322, 326–331, 337, 349, 361, 370–372, 377–378, 382, 384, 409, 430–431, 505
TOTAL	1663	1066	35%

[ltalirz]

I'll merge this and continue in the other PR. Thanks for your help!