From f429d405913baebc6977aaa7b10d271386823576 Mon Sep 17 00:00:00 2001 From: "Lori A. Burns" Date: Wed, 6 Dec 2023 13:34:16 -0500 Subject: [PATCH 1/4] Update Installers.yml --- .github/workflows/Installers.yml | 20 ++++++++++++++++++++ 1 file changed, 20 insertions(+) diff --git a/.github/workflows/Installers.yml b/.github/workflows/Installers.yml index 0ac1b8f..97e1789 100644 --- a/.github/workflows/Installers.yml +++ b/.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 }} From 836b6511d59032cbaa62867cb7f1f9e9ca204609 Mon Sep 17 00:00:00 2001 From: "Lori A. Burns" Date: Wed, 6 Dec 2023 13:39:54 -0500 Subject: [PATCH 2/4] Create construct_new.yaml --- installers/construct_new.yaml | 52 +++++++++++++++++++++++++++++++++++ 1 file changed, 52 insertions(+) create mode 100644 installers/construct_new.yaml diff --git a/installers/construct_new.yaml b/installers/construct_new.yaml new file mode 100644 index 0000000..31883b1 --- /dev/null +++ b/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] From 72efa6893e1e942449fa16c4972ca83b5afa0426 Mon Sep 17 00:00:00 2001 From: "Lori A. Burns" Date: Wed, 6 Dec 2023 13:41:29 -0500 Subject: [PATCH 3/4] Rename construct.yaml to v1.8.2_construct.yaml --- installers/{construct.yaml => v1.8.2_construct.yaml} | 0 1 file changed, 0 insertions(+), 0 deletions(-) rename installers/{construct.yaml => v1.8.2_construct.yaml} (100%) diff --git a/installers/construct.yaml b/installers/v1.8.2_construct.yaml similarity index 100% rename from installers/construct.yaml rename to installers/v1.8.2_construct.yaml From 278ed7ebc5ebda41f4a50d2f9108bc99b04aa77d Mon Sep 17 00:00:00 2001 From: "Lori A. Burns" Date: Wed, 6 Dec 2023 13:41:51 -0500 Subject: [PATCH 4/4] Rename construct_new.yaml to construct.yaml --- installers/{construct_new.yaml => construct.yaml} | 0 1 file changed, 0 insertions(+), 0 deletions(-) rename installers/{construct_new.yaml => construct.yaml} (100%) diff --git a/installers/construct_new.yaml b/installers/construct.yaml similarity index 100% rename from installers/construct_new.yaml rename to installers/construct.yaml