acert-nlsl 0.1.0__tar.gz

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Files changed (2220) hide show
  1. acert_nlsl-0.1.0/.github/workflows/publish.yml +125 -0
  2. acert_nlsl-0.1.0/.gitignore +19 -0
  3. acert_nlsl-0.1.0/95Gtest.log +6 -0
  4. acert_nlsl-0.1.0/A375T4.log +1 -0
  5. acert_nlsl-0.1.0/AGENTS.md +4 -0
  6. acert_nlsl-0.1.0/BL05CHSA.dat +1024 -0
  7. acert_nlsl-0.1.0/BL05CHSA.run +48 -0
  8. acert_nlsl-0.1.0/Doxyfile +2432 -0
  9. acert_nlsl-0.1.0/LICENSE.md +19 -0
  10. acert_nlsl-0.1.0/PKG-INFO +122 -0
  11. acert_nlsl-0.1.0/README.md +90 -0
  12. acert_nlsl-0.1.0/c16pc371e_oldformat.py +57 -0
  13. acert_nlsl-0.1.0/catch.c +57 -0
  14. acert_nlsl-0.1.0/cleanup.sh +5 -0
  15. acert_nlsl-0.1.0/doc/html/_b_l05_c_h_s_a_8py.html +184 -0
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  25. acert_nlsl-0.1.0/doc/html/annotated.js +7 -0
  26. acert_nlsl-0.1.0/doc/html/anxlk_8f90.html +176 -0
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  2124. acert_nlsl-0.1.0/src/fortran/fmomnt.f90 +62 -0
  2125. acert_nlsl-0.1.0/src/fortran/ftfuns.f90 +163 -0
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  2127. acert_nlsl-0.1.0/src/fortran/fz.f90 +75 -0
  2128. acert_nlsl-0.1.0/src/fortran/gconvl.f90 +82 -0
  2129. acert_nlsl-0.1.0/src/fortran/getdat.f90 +593 -0
  2130. acert_nlsl-0.1.0/src/fortran/helpc.f90 +138 -0
  2131. acert_nlsl-0.1.0/src/fortran/ipar.f90 +24 -0
  2132. acert_nlsl-0.1.0/src/fortran/ipsfind.f90 +166 -0
  2133. acert_nlsl-0.1.0/src/fortran/iterat.f90 +26 -0
  2134. acert_nlsl-0.1.0/src/fortran/l1pfun.f90 +51 -0
  2135. acert_nlsl-0.1.0/src/fortran/lbasix.f90 +193 -0
  2136. acert_nlsl-0.1.0/src/fortran/lcheck.f90 +480 -0
  2137. acert_nlsl-0.1.0/src/fortran/letc.f90 +238 -0
  2138. acert_nlsl-0.1.0/src/fortran/lfun.f90 +667 -0
  2139. acert_nlsl-0.1.0/src/fortran/lgrint.f90 +129 -0
  2140. acert_nlsl-0.1.0/src/fortran/lmcom.f90 +59 -0
  2141. acert_nlsl-0.1.0/src/fortran/lmnls.f90 +604 -0
  2142. acert_nlsl-0.1.0/src/fortran/lmpar.f90 +305 -0
  2143. acert_nlsl-0.1.0/src/fortran/lpnam.f90 +68 -0
  2144. acert_nlsl-0.1.0/src/fortran/matrll.f90 +968 -0
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  2146. acert_nlsl-0.1.0/src/fortran/mnbrak.f90 +160 -0
  2147. acert_nlsl-0.1.0/src/fortran/momdls.f90 +272 -0
  2148. acert_nlsl-0.1.0/src/fortran/mspctr.f90 +39 -0
  2149. acert_nlsl-0.1.0/src/fortran/mtsdef.f90 +34 -0
  2150. acert_nlsl-0.1.0/src/fortran/nlsdim.f90 +68 -0
  2151. acert_nlsl-0.1.0/src/fortran/nlsl.f90 +753 -0
  2152. acert_nlsl-0.1.0/src/fortran/nlsnam.f90 +36 -0
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  2154. acert_nlsl-0.1.0/src/fortran/parc.f90 +241 -0
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  2156. acert_nlsl-0.1.0/src/fortran/parsav.f90 +27 -0
  2157. acert_nlsl-0.1.0/src/fortran/physcn.f90 +27 -0
  2158. acert_nlsl-0.1.0/src/fortran/pidef.f90 +18 -0
  2159. acert_nlsl-0.1.0/src/fortran/plgndr.f90 +105 -0
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  2161. acert_nlsl-0.1.0/src/fortran/pstvec.f90 +233 -0
  2162. acert_nlsl-0.1.0/src/fortran/qrfac.f90 +181 -0
  2163. acert_nlsl-0.1.0/src/fortran/qrsolv.f90 +194 -0
  2164. acert_nlsl-0.1.0/src/fortran/qrutil.f90 +181 -0
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  2215. acert_nlsl-0.1.0/tests/test_procline_aliases.py +23 -0
  2216. acert_nlsl-0.1.0/tests/test_procline_multisite.py +19 -0
  2217. acert_nlsl-0.1.0/tests/test_procline_set.py +131 -0
  2218. acert_nlsl-0.1.0/tests/test_runexamples.py +70 -0
  2219. acert_nlsl-0.1.0/tests/test_sample1.py +149 -0
  2220. acert_nlsl-0.1.0/thread_example.py +114 -0
@@ -0,0 +1,125 @@
1
+ name: Test, Build, and Publish
2
+
3
+ permissions:
4
+ contents: read
5
+ id-token: write
6
+
7
+ on:
8
+ push:
9
+ branches:
10
+ - master
11
+
12
+ jobs:
13
+ test:
14
+ runs-on: ubuntu-latest
15
+ outputs:
16
+ new_version: ${{ steps.bump.outputs.new_version }}
17
+ steps:
18
+ - name: Check out source
19
+ uses: actions/checkout@v4
20
+
21
+ - name: Set up Python
22
+ uses: actions/setup-python@v5
23
+ with:
24
+ python-version: '3.11'
25
+
26
+ - name: Install project for testing
27
+ run: |
28
+ python -m pip install --upgrade pip
29
+ pip install -e . --no-build-isolation
30
+ pip install pytest
31
+
32
+ - name: Run pytest
33
+ run: pytest
34
+
35
+ - name: Determine next version
36
+ id: bump
37
+ run: |
38
+ python - <<'PY' > new_version.txt
39
+ import tomllib
40
+ import pathlib
41
+
42
+ path = pathlib.Path('pyproject.toml')
43
+ data = tomllib.loads(path.read_text())
44
+ version = data['project']['version']
45
+ parts = version.split('.')
46
+ parts[-1] = str(int(parts[-1]) + 1)
47
+ print('.'.join(parts), end='')
48
+ PY
49
+ echo "new_version=$(cat new_version.txt)" >> "$GITHUB_OUTPUT"
50
+
51
+ build:
52
+ needs: test
53
+ if: ${{ needs.test.result == 'success' }}
54
+ strategy:
55
+ matrix:
56
+ os: [ubuntu-latest, macos-latest, windows-latest]
57
+ runs-on: ${{ matrix.os }}
58
+ steps:
59
+ - name: Check out source
60
+ uses: actions/checkout@v4
61
+
62
+ - name: Set up Python
63
+ uses: actions/setup-python@v5
64
+ with:
65
+ python-version: '3.11'
66
+
67
+ - name: Apply version bump
68
+ run: |
69
+ python - <<'PY'
70
+ import os
71
+ import pathlib
72
+ import re
73
+
74
+ new_version = os.environ['NEW_VERSION']
75
+ path = pathlib.Path('pyproject.toml')
76
+ text = path.read_text()
77
+ updated = re.sub(r'(version\s*=\s*")([^"]+)(")', rf"\\1{new_version}\\3", text, count=1)
78
+ path.write_text(updated)
79
+ PY
80
+ env:
81
+ NEW_VERSION: ${{ needs.test.outputs.new_version }}
82
+
83
+ - name: Install build tooling
84
+ run: |
85
+ python -m pip install --upgrade pip
86
+ pip install cibuildwheel
87
+
88
+ - name: Build wheels
89
+ run: python -m cibuildwheel --output-dir wheelhouse
90
+
91
+ - name: Upload wheel artifacts
92
+ uses: actions/upload-artifact@v4
93
+ with:
94
+ name: wheels-${{ matrix.os }}
95
+ path: wheelhouse/*.whl
96
+
97
+ publish:
98
+ needs:
99
+ - test
100
+ - build
101
+ if: ${{ needs.test.result == 'success' && needs.build.result == 'success' }}
102
+ runs-on: ubuntu-latest
103
+ permissions:
104
+ contents: read
105
+ id-token: write
106
+ steps:
107
+ - name: Download built wheels
108
+ uses: actions/download-artifact@v4
109
+ with:
110
+ pattern: wheels-*
111
+ path: dist
112
+ merge-multiple: true
113
+
114
+ # To enable publishing, configure PyPI Trusted Publishing for the "pynlsl" project:
115
+ # 1. In the PyPI project settings, add a trusted publisher for this repository.
116
+ # 2. Grant the publisher "workflow" permissions so this workflow can request an OpenID Connect token.
117
+ # 3. After PyPI confirms the publisher, merges to master will publish automatically once tests pass.
118
+
119
+ - name: Publish release to PyPI
120
+ uses: pypa/gh-action-pypi-publish@release/v1
121
+ with:
122
+ packages-dir: dist
123
+
124
+ - name: Show published version
125
+ run: echo "Published version ${{ needs.test.outputs.new_version }}"
@@ -0,0 +1,19 @@
1
+ *.o
2
+ *.mod
3
+ .*.swp
4
+ *.egg-info/
5
+ *.pyd
6
+ build/
7
+ test_result.png
8
+ c16pc371e.log
9
+ c16pc371e.spc
10
+ nlsl.exe
11
+ BL05CHSA.log
12
+ BL05CHSA.spc
13
+ examples/*.log
14
+ examples/*.spc
15
+ fortrancore-f2pywrappers2.f90
16
+ fortrancoremodule.c
17
+ nlsl/__init__.pyc
18
+ nlsl/*.so
19
+ __pycache__/
@@ -0,0 +1,6 @@
1
+ *** CARTESIAN form assumed for G tensor ***
2
+ *** CARTESIAN form assumed for A tensor ***
3
+ *** AXIAL form assumed for R tensor ***
4
+
5
+ *** Fatal err site 1 spctrm 1: Number of points in spectrum is zero
6
+
@@ -0,0 +1 @@
1
+ *** CARTESIAN form assumed for G tensor ***
@@ -0,0 +1,4 @@
1
+ # Agent Instructions
2
+
3
+ - When building the project locally, always run `pip install -e . --no-build-isolation` to ensure the package uses the expected toolchain.
4
+ - Before finishing work, run `pytest` to execute the full test suite.