psdi-data-conversion 0.0.30__tar.gz → 0.0.31__tar.gz

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 (168) hide show
  1. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/ci-deploy-production.yml +1 -2
  2. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/PKG-INFO +19 -1
  3. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/README.md +18 -0
  4. psdi_data_conversion-0.0.31/psdi_data_conversion/bin/LICENSE_ATOMSK +674 -0
  5. psdi_data_conversion-0.0.31/psdi_data_conversion/bin/LICENSE_C2X +674 -0
  6. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/content/accessibility.htm +1 -0
  7. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/content/convert.htm +5 -1
  8. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/content/convertato.htm +4 -0
  9. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/content/convertc2x.htm +4 -0
  10. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/content/documentation.htm +2 -1
  11. psdi_data_conversion-0.0.31/psdi_data_conversion/static/content/download.htm +105 -0
  12. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/content/feedback.htm +1 -0
  13. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/content/header-links.html +1 -0
  14. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/content/index-versions/header-links.html +1 -0
  15. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/content/index-versions/psdi-common-footer.html +1 -1
  16. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/content/index-versions/psdi-common-header.html +1 -1
  17. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/content/psdi-common-footer.html +1 -1
  18. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/content/psdi-common-header.html +1 -1
  19. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/content/report.htm +1 -0
  20. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/javascript/common.js +7 -1
  21. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/javascript/format.js +0 -4
  22. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/javascript/report.js +0 -4
  23. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/templates/index.htm +13 -9
  24. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/ci-cron.yml +0 -0
  25. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/ci-feature.yml +0 -0
  26. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/ci-main.yml +0 -0
  27. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/ci-pr.yml +0 -0
  28. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/ci-rc-hotfix.yml +0 -0
  29. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/ci-release.yml +0 -0
  30. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/job-anchore-scan.yml +0 -0
  31. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/job-container-push.yml +0 -0
  32. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/job-deploy-azure.yml +0 -0
  33. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/job-deploy-k8s.yml +0 -0
  34. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/job-open-pull-request.yml +0 -0
  35. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/job-publish-doc.yml +0 -0
  36. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/job-tag.yml +0 -0
  37. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/job-test-gui.yml +0 -0
  38. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.github/workflows/job-test-python.yml +0 -0
  39. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/.gitignore +0 -0
  40. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/CHANGELOG.md +0 -0
  41. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/CONTRIBUTING.md +0 -0
  42. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/LICENSE +0 -0
  43. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/__init__.py +0 -0
  44. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/app.py +0 -0
  45. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/bin/linux/atomsk +0 -0
  46. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/bin/linux/c2x +0 -0
  47. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/bin/mac/atomsk +0 -0
  48. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/bin/mac/c2x +0 -0
  49. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/constants.py +0 -0
  50. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/converter.py +0 -0
  51. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/converters/__init__.py +0 -0
  52. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/converters/atomsk.py +0 -0
  53. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/converters/base.py +0 -0
  54. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/converters/c2x.py +0 -0
  55. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/converters/openbabel.py +0 -0
  56. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/database.py +0 -0
  57. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/dist.py +0 -0
  58. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/file_io.py +0 -0
  59. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/log_utility.py +0 -0
  60. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/main.py +0 -0
  61. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/scripts/atomsk.sh +0 -0
  62. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/scripts/c2x.sh +0 -0
  63. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/security.py +0 -0
  64. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/data/data.json +0 -0
  65. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/colormode-toggle-dm.svg +0 -0
  66. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/colormode-toggle-lm.svg +0 -0
  67. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/psdi-icon-dark.svg +0 -0
  68. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/psdi-icon-light.svg +0 -0
  69. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/psdi-logo-darktext-simple.png +0 -0
  70. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/psdi-logo-darktext.png +0 -0
  71. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/psdi-logo-lighttext-simple.png +0 -0
  72. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/psdi-logo-lighttext.png +0 -0
  73. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/social-logo-bluesky-black.svg +0 -0
  74. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/social-logo-bluesky-white.svg +0 -0
  75. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/social-logo-instagram-black.svg +0 -0
  76. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/social-logo-instagram-white.svg +0 -0
  77. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/social-logo-linkedin-black.png +0 -0
  78. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/social-logo-linkedin-white.png +0 -0
  79. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/social-logo-mastodon-black.svg +0 -0
  80. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/social-logo-mastodon-white.svg +0 -0
  81. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/social-logo-x-black.svg +0 -0
  82. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/social-logo-x-white.svg +0 -0
  83. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/social-logo-youtube-black.png +0 -0
  84. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/social-logo-youtube-white.png +0 -0
  85. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/ukri-epsr-logo-darktext.png +0 -0
  86. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/ukri-epsr-logo-lighttext.png +0 -0
  87. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/ukri-logo-darktext.png +0 -0
  88. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/img/ukri-logo-lighttext.png +0 -0
  89. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/javascript/accessibility.js +0 -0
  90. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/javascript/convert.js +0 -0
  91. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/javascript/convert_common.js +0 -0
  92. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/javascript/convertato.js +0 -0
  93. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/javascript/convertc2x.js +0 -0
  94. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/javascript/data.js +0 -0
  95. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/javascript/load_accessibility.js +0 -0
  96. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/javascript/psdi-common.js +0 -0
  97. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/styles/format.css +0 -0
  98. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/static/styles/psdi-common.css +0 -0
  99. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/testing/__init__.py +0 -0
  100. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/testing/constants.py +0 -0
  101. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/testing/conversion_callbacks.py +0 -0
  102. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/testing/conversion_test_specs.py +0 -0
  103. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/psdi_data_conversion/testing/utils.py +0 -0
  104. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/pyproject.toml +0 -0
  105. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/run_local.sh +0 -0
  106. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/scripts/setup_bin.py +0 -0
  107. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/1ARJ.mmcif +0 -0
  108. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/1NE6.mmcif +0 -0
  109. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/5a9z-assembly1.cif +0 -0
  110. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/Fapatite.ins +0 -0
  111. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/aceticacid.mol +0 -0
  112. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/benzyne.molden +0 -0
  113. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/caffeine-smi.tar +0 -0
  114. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/caffeine-smi.tar.gz +0 -0
  115. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/caffeine-smi.zip +0 -0
  116. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/caffeine.inchi +0 -0
  117. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/ch3cl-esp.cub +0 -0
  118. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/cyclopropane_err.mol +0 -0
  119. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/ethanol.xyz +0 -0
  120. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/fullRhinovirus.pdb +0 -0
  121. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/hemoglobin.pdb +0 -0
  122. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/nacl.cif +0 -0
  123. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/nacl.mol +0 -0
  124. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/aceticacid.log.txt +0 -0
  125. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/aceticacid.mol2 +0 -0
  126. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine-2D-fastest.xyz +0 -0
  127. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine-3D-best.xyz +0 -0
  128. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine-ia-okx-oof4.smi +0 -0
  129. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine-ia-okx-oof4l5.smi +0 -0
  130. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine-ia-okx.smi +0 -0
  131. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine-ia-ox.smi +0 -0
  132. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine-ia.smi +0 -0
  133. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine-no-flags.smi +0 -0
  134. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine.smi +0 -0
  135. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine.xyz +0 -0
  136. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine_a_in.smi +0 -0
  137. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine_a_in_kx_f4_l5_out.smi +0 -0
  138. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine_a_in_kx_f4_out.smi +0 -0
  139. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine_a_in_kx_out.smi +0 -0
  140. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/caffeine_a_in_x_out.smi +0 -0
  141. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/error_Fapatite_ins_to_cml_OB +0 -0
  142. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/error_cyclopropane_mol_to_xyz_c2x +0 -0
  143. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/error_nacl_mol_to_xyz_atomsk +0 -0
  144. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/hemoglobin_Atomsk.xyz +0 -0
  145. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/hemoglobin_c2x.xyz +0 -0
  146. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/nacl.log +0 -0
  147. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/nacl.mol +0 -0
  148. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/quartz_OB.cif +0 -0
  149. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/quartz_OB.log.txt +0 -0
  150. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/quartz_atomsk.cif +0 -0
  151. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/quartz_atomsk.log.txt +0 -0
  152. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/standard_test.inchi +0 -0
  153. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/xyz_files-mol.zip +0 -0
  154. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/output/xyz_files.log.txt +0 -0
  155. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/periodic_dmol3.outmol +0 -0
  156. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/quartz.xyz +0 -0
  157. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/quartz_err.xyz +0 -0
  158. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/test_data/standard_test.cdxml +0 -0
  159. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/tests/cli_test.py +0 -0
  160. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/tests/converter_test.py +0 -0
  161. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/tests/database_test.py +0 -0
  162. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/tests/dist_test.py +0 -0
  163. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/tests/file_io_test.py +0 -0
  164. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/tests/logging_test.py +0 -0
  165. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/tests/security_test.py +0 -0
  166. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/tests/selenium/files/standard_test.cdxml +0 -0
  167. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/tests/selenium/run.sh +0 -0
  168. {psdi_data_conversion-0.0.30 → psdi_data_conversion-0.0.31}/tests/selenium/selenium_tests.py +0 -0
@@ -45,5 +45,4 @@ jobs:
45
45
  secrets: inherit # pass all secrets for the environment
46
46
  with:
47
47
  container_tag: ${{ needs.get-latest-release-tag.outputs.tag }}
48
- #TODO: Change this to target production. Currently it targets staging
49
- environment: staging
48
+ environment: production
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: psdi_data_conversion
3
- Version: 0.0.30
3
+ Version: 0.0.31
4
4
  Summary: Chemistry file format conversion service, provided by PSDI
5
5
  Project-URL: Homepage, https://psdidev2.azurewebsites.net/
6
6
  Project-URL: Documentation, https://psdi-uk.github.io/psdi-data-conversion/
@@ -278,6 +278,9 @@ This is the repository for the PSDI PF2 Chemistry File Format Conversion project
278
278
  - [Installation and Setup](#installation-and-setup)
279
279
  - [Running the App](#running-the-app)
280
280
  - [Testing](#testing)
281
+ - [Licencing](#licencing)
282
+ - [Contributors](#contributors)
283
+ - [Funding](#funding)
281
284
 
282
285
  ## Project Structure
283
286
 
@@ -650,6 +653,21 @@ cd tests/selenium
650
653
  kill %1 # Stop the web server - it may have a different job ID. If you don't know the job ID, you can alternatively call "fg" to bring the job to the foreground, then type CTRL+c to stop it
651
654
  ```
652
655
 
656
+ ## Licencing
657
+
658
+ This project is provided under the Apache License version 2.0, the terms of which can be found in the file `LICENSE`.
659
+
660
+ This project redistributes compiled binaries for the Atomsk and c2x converters. These are both licenced under the
661
+ GNU General Public License version 3 and are redistributed per its terms. Any further redistribution of these binaries,
662
+ including redistribution of this project as a whole, including them, must also follow the terms of this licence.
663
+
664
+ This requires conspicuously displaying notice of this licence, providing the text of of the licence (provided here in
665
+ the files `psdi_data_conversion/bin/LICENSE_C2X` and `psdi_data_conversion/bin/LICENSE_ATOMSK`), and appropriately
666
+ conveying the source code for each of these. Their respective source code may be found at:
667
+
668
+ - Atomsk: https://github.com/pierrehirel/atomsk/
669
+ - c2x: https://www.c2x.org.uk/downloads/
670
+
653
671
  ## Contributors
654
672
 
655
673
  - Ray Whorley
@@ -33,6 +33,9 @@ This is the repository for the PSDI PF2 Chemistry File Format Conversion project
33
33
  - [Installation and Setup](#installation-and-setup)
34
34
  - [Running the App](#running-the-app)
35
35
  - [Testing](#testing)
36
+ - [Licencing](#licencing)
37
+ - [Contributors](#contributors)
38
+ - [Funding](#funding)
36
39
 
37
40
  ## Project Structure
38
41
 
@@ -405,6 +408,21 @@ cd tests/selenium
405
408
  kill %1 # Stop the web server - it may have a different job ID. If you don't know the job ID, you can alternatively call "fg" to bring the job to the foreground, then type CTRL+c to stop it
406
409
  ```
407
410
 
411
+ ## Licencing
412
+
413
+ This project is provided under the Apache License version 2.0, the terms of which can be found in the file `LICENSE`.
414
+
415
+ This project redistributes compiled binaries for the Atomsk and c2x converters. These are both licenced under the
416
+ GNU General Public License version 3 and are redistributed per its terms. Any further redistribution of these binaries,
417
+ including redistribution of this project as a whole, including them, must also follow the terms of this licence.
418
+
419
+ This requires conspicuously displaying notice of this licence, providing the text of of the licence (provided here in
420
+ the files `psdi_data_conversion/bin/LICENSE_C2X` and `psdi_data_conversion/bin/LICENSE_ATOMSK`), and appropriately
421
+ conveying the source code for each of these. Their respective source code may be found at:
422
+
423
+ - Atomsk: https://github.com/pierrehirel/atomsk/
424
+ - c2x: https://www.c2x.org.uk/downloads/
425
+
408
426
  ## Contributors
409
427
 
410
428
  - Ray Whorley