Merge pull request #6 from psi4/loriab-patch-1

v1.9 installer

.github/workflows/Installers.yml

@@ -31,6 +31,11 @@ jobs:
             formal_platform: "Linux-x86_64"
             python-version: '3.11'
 
+          - runs-on: ubuntu-latest
+            platform: linux-64
+            formal_platform: "Linux-x86_64"
+            python-version: '3.12'
+
           #########################
 
           - runs-on: macos-latest
@@ -53,6 +58,11 @@ jobs:
             formal_platform: "MacOSX-arm64"
             python-version: '3.11'
 
+          - runs-on: macos-latest
+            platform: osx-arm64
+            formal_platform: "MacOSX-arm64"
+            python-version: '3.12'
+
           #########################
 
           - runs-on: macos-latest
@@ -75,6 +85,11 @@ jobs:
             formal_platform: "MacOSX-x86_64"
             python-version: '3.11'
 
+          - runs-on: macos-latest
+            platform: osx-64
+            formal_platform: "MacOSX-x86_64"
+            python-version: '3.12'
+
           #########################
 
           - runs-on: windows-latest
@@ -97,6 +112,11 @@ jobs:
             formal_platform: "Windows-x86_64"
             python-version: '3.11'
 
+          - runs-on: windows-latest
+            platform: win-64
+            formal_platform: "Windows-x86_64"
+            python-version: '3.12'
+
     env:
       PLATFORM: ${{ matrix.cfg.platform }}
       PYVER: ${{ matrix.cfg.python-version }}

installers/construct.yaml

@@ -1,6 +1,6 @@
 ###  Configuration
 
-{% set release = "1.8.2" %}
+{% 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
@@ -25,8 +25,8 @@ specs:
   - python {{ python }}*
   - psi4 =={{ release }}*
   - pytest-xdist
-  - dftd3-python
-  - dftd4-python
+  - dftd3-python                                                       # [not (win and py==312)]
+  - dftd4-python                                                       # [py != 312]
   - gcp-correction
   - pip
   - miniforge_console_shortcut 1.*           # [win]
@@ -50,4 +50,3 @@ keep_pkgs: false
 license_file: COPYING.LESSER
 
 welcome_image: psi4square.png                # [win]
-

installers/v1.8.2_construct.yaml

@@ -0,0 +1,53 @@
+###  Configuration
+
+{% set release = "1.8.2" %}
+
+{% 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
+  - dftd4-python
+  - 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]
+