From 8f6b299ffe39bc067f02e3fcecb1ed59b8d03f9d Mon Sep 17 00:00:00 2001 From: Hrushikesh Sahasrabuddhe Date: Thu, 21 Nov 2024 17:09:59 -0800 Subject: [PATCH] installing phono3py using conda --- .github/workflows/testing.yml | 1 + pyproject.toml | 1 - 2 files changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/testing.yml b/.github/workflows/testing.yml index cafdc811bb..6720e8980f 100644 --- a/.github/workflows/testing.yml +++ b/.github/workflows/testing.yml @@ -67,6 +67,7 @@ jobs: mkdir -p ~/.abinit/pseudos cp -r tests/test_data/abinit/pseudos/ONCVPSP-PBE-SR-PDv0.4 ~/.abinit/pseudos uv pip install .[strict,strict-forcefields,tests,abinit] + micromamba install -n a2 -c conda-forge phono3py --yes # Added uv pip install torch-runstats uv pip install --no-deps nequip==0.5.6 diff --git a/pyproject.toml b/pyproject.toml index 3bc1c68ec7..6892c1c2eb 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -130,7 +130,6 @@ strict = [ "hiphive @ git+https://gitlab.com/jsyony37/hiphive.git@personal#egg=hiphive", "f90nml==1.4.4", "spglib>=2.2.0", - "phono3py", "scipy==1.14.1", ] strict-forcefields = [