From 21e32ab6d4132a939b98f97f5a84a711ec873901 Mon Sep 17 00:00:00 2001 From: Xavier Lange Date: Thu, 18 Apr 2024 10:36:14 -0500 Subject: [PATCH 1/4] playing with conda --- .github/workflows/test_suite.yml | 32 +++++++++++++++++++++++--------- 1 file changed, 23 insertions(+), 9 deletions(-) diff --git a/.github/workflows/test_suite.yml b/.github/workflows/test_suite.yml index 3d98e1a..0b403d9 100644 --- a/.github/workflows/test_suite.yml +++ b/.github/workflows/test_suite.yml @@ -28,11 +28,18 @@ jobs: shell: bash run: ${SCCACHE_PATH} --show-stats + - name: Miniconda Setup + uses: conda-incubator/setup-miniconda@v3 + with: + channels: conda-forge,defaults + channel-priority: true + activate-environment: rdkit-rs + - name: Install rdkit run: | - sudo bash -c "echo 'deb [trusted=yes] https://rdkit-rs-debian.s3.amazonaws.com jammy main' > /etc/apt/sources.list.d/rdkit-rs.list" + conda install conda-forge::rdkit sudo apt-get update - sudo apt-get install -y build-essential librdkit-dev libssl-dev libboost1.74-dev libboost-serialization1.74-dev pkg-config + sudo apt-get install -y build-essential libssl-dev libboost1.74-dev libboost-serialization1.74-dev pkg-config - name: Install latest stable uses: actions-rs/toolchain@v1 @@ -42,7 +49,7 @@ jobs: components: rustfmt, clippy - name: Cargo Test - run: RUST_WRAPPER=$SCCACHE_PATH cargo test --workspace + run: CONDA_PREFIX=/usr/share/miniconda/envs/rdkit RUST_WRAPPER=$SCCACHE_PATH cargo test --workspace convention_checker: env: @@ -64,11 +71,18 @@ jobs: shell: bash run: ${SCCACHE_PATH} --show-stats + - name: Miniconda Setup + uses: conda-incubator/setup-miniconda@v3 + with: + channels: conda-forge,defaults + channel-priority: true + activate-environment: rdkit-rs + - name: Install rdkit run: | - sudo bash -c "echo 'deb [trusted=yes] https://rdkit-rs-debian.s3.amazonaws.com jammy main' > /etc/apt/sources.list.d/rdkit-rs.list" + conda install conda-forge::rdkit sudo apt-get update - sudo apt-get install -y build-essential librdkit-dev libssl-dev libboost1.74-dev libboost-serialization1.74-dev pkg-config + sudo apt-get install -y build-essential libssl-dev libboost1.74-dev libboost-serialization1.74-dev pkg-config - name: Install latest stable uses: actions-rs/toolchain@v1 @@ -79,14 +93,14 @@ jobs: - name: Rust Format Check run: | - RUST_WRAPPER=$SCCACHE_PATH cargo fmt --check + CONDA_PREFIX=/usr/share/miniconda/envs/rdkit RUST_WRAPPER=$SCCACHE_PATH cargo fmt --check pushd rdkit-sys - RUST_WRAPPER=$SCCACHE_PATH cargo fmt --check + CONDA_PREFIX=/usr/share/miniconda/envs/rdkit RUST_WRAPPER=$SCCACHE_PATH cargo fmt --check popd - name: Clippy Check run: | - RUST_WRAPPER=$SCCACHE_PATH cargo clippy + CONDA_PREFIX=/usr/share/miniconda/envs/rdkit RUST_WRAPPER=$SCCACHE_PATH cargo clippy pushd rdkit-sys - RUST_WRAPPER=$SCCACHE_PATH cargo clippy + CONDA_PREFIX=/usr/share/miniconda/envs/rdkit RUST_WRAPPER=$SCCACHE_PATH cargo clippy popd \ No newline at end of file From 4b4b7da623a344b3be6bcdf262e0b4b0997d23e0 Mon Sep 17 00:00:00 2001 From: Xavier Lange Date: Thu, 18 Apr 2024 10:49:44 -0500 Subject: [PATCH 2/4] cargo env var --- .github/workflows/test_suite.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/.github/workflows/test_suite.yml b/.github/workflows/test_suite.yml index 0b403d9..6dbe28b 100644 --- a/.github/workflows/test_suite.yml +++ b/.github/workflows/test_suite.yml @@ -6,6 +6,7 @@ on: env: REGISTRY: ghcr.io REPO_LOWER: rdkit-rs/cheminee + CARGO_FEATURE_DYNAMIC_LINKING_FROM_CONDA: yes jobs: test_suite: From 02ca8cd2d53a039935b787890fbf9bf8cf05ef28 Mon Sep 17 00:00:00 2001 From: Xavier Lange Date: Thu, 18 Apr 2024 10:53:21 -0500 Subject: [PATCH 3/4] bad conda env name --- .github/workflows/test_suite.yml | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/.github/workflows/test_suite.yml b/.github/workflows/test_suite.yml index 6dbe28b..cba6b8a 100644 --- a/.github/workflows/test_suite.yml +++ b/.github/workflows/test_suite.yml @@ -50,7 +50,7 @@ jobs: components: rustfmt, clippy - name: Cargo Test - run: CONDA_PREFIX=/usr/share/miniconda/envs/rdkit RUST_WRAPPER=$SCCACHE_PATH cargo test --workspace + run: CONDA_PREFIX=/usr/share/miniconda/envs/rdkit-rs RUST_WRAPPER=$SCCACHE_PATH cargo test --workspace convention_checker: env: @@ -94,14 +94,14 @@ jobs: - name: Rust Format Check run: | - CONDA_PREFIX=/usr/share/miniconda/envs/rdkit RUST_WRAPPER=$SCCACHE_PATH cargo fmt --check + CONDA_PREFIX=/usr/share/miniconda/envs/rdkit-rs RUST_WRAPPER=$SCCACHE_PATH cargo fmt --check pushd rdkit-sys - CONDA_PREFIX=/usr/share/miniconda/envs/rdkit RUST_WRAPPER=$SCCACHE_PATH cargo fmt --check + CONDA_PREFIX=/usr/share/miniconda/envs/rdkit-rs RUST_WRAPPER=$SCCACHE_PATH cargo fmt --check popd - name: Clippy Check run: | - CONDA_PREFIX=/usr/share/miniconda/envs/rdkit RUST_WRAPPER=$SCCACHE_PATH cargo clippy + CONDA_PREFIX=/usr/share/miniconda/envs/rdkit-rs RUST_WRAPPER=$SCCACHE_PATH cargo clippy pushd rdkit-sys - CONDA_PREFIX=/usr/share/miniconda/envs/rdkit RUST_WRAPPER=$SCCACHE_PATH cargo clippy + CONDA_PREFIX=/usr/share/miniconda/envs/rdkit-rs RUST_WRAPPER=$SCCACHE_PATH cargo clippy popd \ No newline at end of file From c493d647e57a77988c3b5b53873e41f584c7dbe6 Mon Sep 17 00:00:00 2001 From: Xavier Lange Date: Thu, 18 Apr 2024 11:13:52 -0500 Subject: [PATCH 4/4] tmate --- .github/workflows/test_suite.yml | 3 +++ 1 file changed, 3 insertions(+) diff --git a/.github/workflows/test_suite.yml b/.github/workflows/test_suite.yml index cba6b8a..70dfa2f 100644 --- a/.github/workflows/test_suite.yml +++ b/.github/workflows/test_suite.yml @@ -49,6 +49,9 @@ jobs: override: true components: rustfmt, clippy + - name: Setup tmate session + uses: mxschmitt/action-tmate@v3 + - name: Cargo Test run: CONDA_PREFIX=/usr/share/miniconda/envs/rdkit-rs RUST_WRAPPER=$SCCACHE_PATH cargo test --workspace