From 6e74bd62c2cc56eb113258a452262f29a77c1f2a Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Sun, 21 Apr 2024 22:16:34 -0400 Subject: [PATCH 1/3] fix env --- .github/workflows/envs/environment.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/.github/workflows/envs/environment.yml b/.github/workflows/envs/environment.yml index f393896..a98c147 100644 --- a/.github/workflows/envs/environment.yml +++ b/.github/workflows/envs/environment.yml @@ -3,5 +3,6 @@ channels: - conda-forge dependencies: + - pip - pip: - -r ../../../requirements/requirements-test.txt From 8563cf5fca9a2c7ade7af3ee2ff47384b08dfcb5 Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Sun, 21 Apr 2024 22:16:42 -0400 Subject: [PATCH 2/3] upgrade pymol to 3.0 --- .github/workflows/CI.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml index dedd4b1..01f601f 100644 --- a/.github/workflows/CI.yaml +++ b/.github/workflows/CI.yaml @@ -32,7 +32,7 @@ jobs: PYTHON_VER=${{ matrix.python-version }} PYTHON_VER=${PYTHON_VER//./} # Remove the dot from the Python version if mamba search -c conda-forge pymol-open-source | grep -q "py${PYTHON_VER}"; then - mamba install -c conda-forge pymol-open-source=2.5.0 + mamba install -c conda-forge pymol-open-source=3.0.0 fi - name: Install package shell: bash -l {0} From 9226514e3e8d595b83af86c0c0d264ca0cfd17e3 Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Sun, 21 Apr 2024 22:20:26 -0400 Subject: [PATCH 3/3] prevent future breakage --- .github/workflows/CI.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml index 01f601f..75f79f6 100644 --- a/.github/workflows/CI.yaml +++ b/.github/workflows/CI.yaml @@ -31,7 +31,7 @@ jobs: run: | PYTHON_VER=${{ matrix.python-version }} PYTHON_VER=${PYTHON_VER//./} # Remove the dot from the Python version - if mamba search -c conda-forge pymol-open-source | grep -q "py${PYTHON_VER}"; then + if mamba search -c conda-forge pymol-open-source=3.0.0 | grep -q "py${PYTHON_VER}"; then mamba install -c conda-forge pymol-open-source=3.0.0 fi - name: Install package