From 92e5f401958d16913cdddfed02ad8597b0088c13 Mon Sep 17 00:00:00 2001 From: "Lori A. Burns" Date: Thu, 8 Feb 2024 22:24:00 -0500 Subject: [PATCH 1/2] Rename construct.yaml to v1.9_construct.yaml --- installers/{construct.yaml => v1.9_construct.yaml} | 0 1 file changed, 0 insertions(+), 0 deletions(-) rename installers/{construct.yaml => v1.9_construct.yaml} (100%) diff --git a/installers/construct.yaml b/installers/v1.9_construct.yaml similarity index 100% rename from installers/construct.yaml rename to installers/v1.9_construct.yaml From d0cb3b9d8c5896c91eb4d13d1175e3ff37ca16f2 Mon Sep 17 00:00:00 2001 From: "Lori A. Burns" Date: Thu, 8 Feb 2024 22:25:17 -0500 Subject: [PATCH 2/2] Create construct.yaml --- installers/construct.yaml | 52 +++++++++++++++++++++++++++++++++++++++ 1 file changed, 52 insertions(+) create mode 100644 installers/construct.yaml diff --git a/installers/construct.yaml b/installers/construct.yaml new file mode 100644 index 0000000..ebad8ca --- /dev/null +++ b/installers/construct.yaml @@ -0,0 +1,52 @@ +### Configuration + +{% set release = "1.9.1" %} # 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 # subject to GHA logic for missing win+py312 packages + - dftd4-python # subject to GHA logic for missing py312 packages + - 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]