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Use conda #28

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21e32ab
playing with conda
xrl Apr 18, 2024
4b4b7da
cargo env var
xrl Apr 18, 2024
02ca8cd
bad conda env name
xrl Apr 18, 2024
c493d64
tmate
xrl Apr 18, 2024
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36 changes: 27 additions & 9 deletions .github/workflows/test_suite.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,7 @@ on:
env:
REGISTRY: ghcr.io
REPO_LOWER: rdkit-rs/cheminee
CARGO_FEATURE_DYNAMIC_LINKING_FROM_CONDA: yes

jobs:
test_suite:
Expand All @@ -28,11 +29,18 @@ 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
Expand All @@ -41,8 +49,11 @@ jobs:
override: true
components: rustfmt, clippy

- name: Setup tmate session
uses: mxschmitt/action-tmate@v3

- name: Cargo Test
run: 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:
Expand All @@ -64,11 +75,18 @@ 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
Expand All @@ -79,14 +97,14 @@ jobs:

- name: Rust Format Check
run: |
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
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: |
RUST_WRAPPER=$SCCACHE_PATH cargo clippy
CONDA_PREFIX=/usr/share/miniconda/envs/rdkit-rs RUST_WRAPPER=$SCCACHE_PATH cargo clippy
pushd rdkit-sys
RUST_WRAPPER=$SCCACHE_PATH cargo clippy
CONDA_PREFIX=/usr/share/miniconda/envs/rdkit-rs RUST_WRAPPER=$SCCACHE_PATH cargo clippy
popd