@mat3ra/esse 2025.8.6-0 → 2025.8.6-1

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (15) hide show
  1. package/dist/js/example/software/template.json +1 -0
  2. package/dist/js/example/software_directory/modeling/unit/execution.json +13 -2
  3. package/dist/js/example/software_directory/scripting/unit/execution.json +13 -2
  4. package/dist/js/schema/software/template.json +6 -1
  5. package/dist/js/schema/software_directory/modeling/unit/execution.json +6 -1
  6. package/dist/js/schema/software_directory/scripting/unit/execution.json +6 -1
  7. package/dist/js/schema/workflow/unit/input/_input.json +6 -1
  8. package/dist/js/schema/workflow/unit/input/_inputItem.json +6 -1
  9. package/dist/js/schemas.json +1 -1
  10. package/dist/js/types.d.ts +20 -0
  11. package/example/software/template.json +1 -0
  12. package/example/software_directory/modeling/unit/execution.json +1 -2
  13. package/example/software_directory/scripting/unit/execution.json +1 -2
  14. package/package.json +1 -1
  15. package/schema/workflow/unit/input/_inputItem.json +6 -1
package/dist/js/example/software/template.json CHANGED
@@ -4,6 +4,7 @@
4
4
  "6.0"
5
5
  ],
6
6
  "content": "K_POINTS automatic\n{{nkx}} {{nky}} {{nkz}} 0 0 0",
7
+ "rendered": "K_POINTS automatic\n10 10 10 0 0 0",
7
8
  "contextProviders": [
8
9
  {
9
10
  "name": "KGridManagerMixin"
package/dist/js/example/software_directory/modeling/unit/execution.json CHANGED
@@ -9,8 +9,19 @@
9
9
  "head": true,
10
10
  "input": [
11
11
  {
12
- "content": "K_POINTS automatic\n2 2 2 0 0 0",
13
- "name": "pw_scf.in"
12
+ "applicationName": "espresso",
13
+ "applicationVersions": [
14
+ "6.0"
15
+ ],
16
+ "content": "K_POINTS automatic\n{{nkx}} {{nky}} {{nkz}} 0 0 0",
17
+ "rendered": "K_POINTS automatic\n10 10 10 0 0 0",
18
+ "contextProviders": [
19
+ {
20
+ "name": "KGridManagerMixin"
21
+ }
22
+ ],
23
+ "executableName": "pw.x",
24
+ "name": "kpoints_grid"
14
25
  }
15
26
  ],
16
27
  "name": "modeling",
package/dist/js/example/software_directory/scripting/unit/execution.json CHANGED
@@ -12,8 +12,19 @@
12
12
  "head": true,
13
13
  "input": [
14
14
  {
15
- "content": "print('Hello World!')",
16
- "name": "script.py"
15
+ "applicationName": "espresso",
16
+ "applicationVersions": [
17
+ "6.0"
18
+ ],
19
+ "content": "K_POINTS automatic\n{{nkx}} {{nky}} {{nkz}} 0 0 0",
20
+ "rendered": "K_POINTS automatic\n10 10 10 0 0 0",
21
+ "contextProviders": [
22
+ {
23
+ "name": "KGridManagerMixin"
24
+ }
25
+ ],
26
+ "executableName": "pw.x",
27
+ "name": "kpoints_grid"
17
28
  }
18
29
  ],
19
30
  "name": "scripting",
package/dist/js/schema/software/template.json CHANGED
@@ -5,7 +5,8 @@
5
5
  "type": "object",
6
6
  "required": [
7
7
  "content",
8
- "name"
8
+ "name",
9
+ "rendered"
9
10
  ],
10
11
  "properties": {
11
12
  "applicationName": {
@@ -42,6 +43,10 @@
42
43
  "description": "Content of the input file. e.g. &CONTROL calculation='scf' ...",
43
44
  "type": "string"
44
45
  },
46
+ "rendered": {
47
+ "description": "Rendered content of the input file. e.g. &CONTROL calculation='scf' ...",
48
+ "type": "string"
49
+ },
45
50
  "_id": {
46
51
  "description": "entity identity",
47
52
  "type": "string"
package/dist/js/schema/software_directory/modeling/unit/execution.json CHANGED
@@ -452,11 +452,16 @@
452
452
  "content": {
453
453
  "description": "Content of the input file. e.g. &CONTROL calculation='scf' ...",
454
454
  "type": "string"
455
+ },
456
+ "rendered": {
457
+ "description": "Rendered content of the input file. e.g. &CONTROL calculation='scf' ...",
458
+ "type": "string"
455
459
  }
456
460
  },
457
461
  "required": [
458
462
  "name",
459
- "content"
463
+ "content",
464
+ "rendered"
460
465
  ]
461
466
  },
462
467
  {
package/dist/js/schema/software_directory/scripting/unit/execution.json CHANGED
@@ -452,11 +452,16 @@
452
452
  "content": {
453
453
  "description": "Content of the input file. e.g. &CONTROL calculation='scf' ...",
454
454
  "type": "string"
455
+ },
456
+ "rendered": {
457
+ "description": "Rendered content of the input file. e.g. &CONTROL calculation='scf' ...",
458
+ "type": "string"
455
459
  }
456
460
  },
457
461
  "required": [
458
462
  "name",
459
- "content"
463
+ "content",
464
+ "rendered"
460
465
  ]
461
466
  },
462
467
  {
package/dist/js/schema/workflow/unit/input/_input.json CHANGED
@@ -21,11 +21,16 @@
21
21
  "content": {
22
22
  "description": "Content of the input file. e.g. &CONTROL calculation='scf' ...",
23
23
  "type": "string"
24
+ },
25
+ "rendered": {
26
+ "description": "Rendered content of the input file. e.g. &CONTROL calculation='scf' ...",
27
+ "type": "string"
24
28
  }
25
29
  },
26
30
  "required": [
27
31
  "name",
28
- "content"
32
+ "content",
33
+ "rendered"
29
34
  ]
30
35
  },
31
36
  {
package/dist/js/schema/workflow/unit/input/_inputItem.json CHANGED
@@ -5,7 +5,8 @@
5
5
  "type": "object",
6
6
  "required": [
7
7
  "name",
8
- "content"
8
+ "content",
9
+ "rendered"
9
10
  ],
10
11
  "properties": {
11
12
  "name": {
@@ -15,6 +16,10 @@
15
16
  "content": {
16
17
  "description": "Content of the input file. e.g. &CONTROL calculation='scf' ...",
17
18
  "type": "string"
19
+ },
20
+ "rendered": {
21
+ "description": "Rendered content of the input file. e.g. &CONTROL calculation='scf' ...",
22
+ "type": "string"
18
23
  }
19
24
  }
20
25
  }