Create construct_new.yaml

installers/construct_new.yaml

@@ -0,0 +1,52 @@
+###  Configuration
+
+{% set release = "1.9" %}                    # e.g., "1.8" or "1.8.1"
+
+{% set name = "Psi4conda" %}
+{% set python = "3.8" %}                     # if edit, also edit https://github.com/psi4/psi4meta/blob/master/.github/workflows/Installers.yml#L126
+{% set platform = "xxx" %}                   # if edit, same as above L127
+
+#{% set repo = "https://conda.anaconda.org/" %}
+#{% set channel = "psi4" %}
+#{% set channel_tag = "" %}  # toggle to empty string for releases, `-c psi4`, vs. "/label/dev" for release candidates, `-c psi4/label/dev`
+
+###  Recipe
+
+name: {{ name }}
+version: {{ release }}
+
+{% set ext = "sh" %}                         # [unix]
+{% set ext = "exe" %}                        # [win]
+
+installer_filename: {{ name }}-{{ release }}-py{{ python | replace(".", "") }}-{{ platform }}.{{ ext }}
+
+specs:
+  - conda
+  - python {{ python }}*
+  - psi4 =={{ release }}*
+  - pytest-xdist
+  - dftd3-python                                                       # [not (win and py==312)]
+  - dftd4-python                                                       # [py != 312]
+  - gcp-correction
+  - pip
+  - miniforge_console_shortcut 1.*           # [win]
+
+channels: &id1
+  #- conda-forge/label/psi4_dev
+  - conda-forge/label/libint_dev
+  - conda-forge
+  #- https://conda.anaconda.org/conda-forge/  # [win]
+  #- https://repo.anaconda.com/pkgs/main/
+  #- https://repo.anaconda.com/pkgs/msys2/    # [win]
+  #- {{ repo }}{{ channel }}{{ channel_tag }}
+  #- {{ repo }}adcc
+
+conda_default_channels: *id1
+
+keep_pkgs: false
+
+#ignore_duplicate_files: true                 # [osx]  # for iomp5
+
+license_file: COPYING.LESSER
+
+welcome_image: psi4square.png                # [win]