From 4c4fd0971b58a1c75d4fe075ceda3c41e18bf385 Mon Sep 17 00:00:00 2001 From: Benjamin Pritchard Date: Tue, 21 May 2024 16:33:32 -0400 Subject: [PATCH] Remove libint_dev channel from test envs and update psi4 version --- qcarchivetesting/conda-envs/fulltest_snowflake.yaml | 3 +-- qcarchivetesting/conda-envs/fulltest_worker.yaml | 3 +-- 2 files changed, 2 insertions(+), 4 deletions(-) diff --git a/qcarchivetesting/conda-envs/fulltest_snowflake.yaml b/qcarchivetesting/conda-envs/fulltest_snowflake.yaml index 4baca13bf..aa0fe8c48 100644 --- a/qcarchivetesting/conda-envs/fulltest_snowflake.yaml +++ b/qcarchivetesting/conda-envs/fulltest_snowflake.yaml @@ -1,7 +1,6 @@ name: qcarchive-snowflake channels: - conda-forge - - conda-forge/label/libint_dev - defaults dependencies: @@ -45,7 +44,7 @@ dependencies: # Worker codes below - qcengine<0.70a0 - - psi4>=1.7 + - psi4>=1.9.1 - rdkit # Testing packages diff --git a/qcarchivetesting/conda-envs/fulltest_worker.yaml b/qcarchivetesting/conda-envs/fulltest_worker.yaml index 18bf0ec9c..cd0ea2e0b 100644 --- a/qcarchivetesting/conda-envs/fulltest_worker.yaml +++ b/qcarchivetesting/conda-envs/fulltest_worker.yaml @@ -1,7 +1,6 @@ name: qcarchive-worker channels: - conda-forge - - conda-forge/label/libint_dev - defaults dependencies: @@ -31,7 +30,7 @@ dependencies: # Worker codes below - qcengine<0.70a0 - - psi4>=1.7 + - psi4>=1.9.1 - rdkit # Geometric service