Add Blossom Jenkins GPU CI (A10) and conda setup

Jenkinsfile

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+@Library('blossom-github-lib@master')
+import ipp.blossom.*
+
+// Request any linux node with a GPU; no gpu_type selector so scheduling isn't
+// blocked by tainted nodes. restartPolicy/backoffLimit are Pod/Job fields, not container fields.
+podTemplate(cloud: 'blsm-prod-cloud', yaml: """
+spec:
+  containers:
+  - name: cuda
+    image: nvcr.io/nvidia/cuda:12.6.3-devel-ubuntu22.04
+    command:
+    - cat
+    resources:
+      requests:
+        nvidia.com/gpu: 1
+      limits:
+        nvidia.com/gpu: 1
+    tty: true
+  nodeSelector:
+    kubernetes.io/os: linux
+""") {
+    node(POD_LABEL) {
+        timeout(time: 90, unit: 'MINUTES') {
+        def githubHelper
+        stage('Get Token') {
+            withCredentials([usernamePassword(credentialsId: 'github-token', passwordVariable: 'GIT_PASSWORD', usernameVariable: 'GIT_USERNAME')]) {
+                githubHelper = GithubHelper.getInstance("${GIT_PASSWORD}", githubData)
+            }
+        }
+        def stageName = ''
+        try {
+            currentBuild.description = githubHelper.getBuildDescription()
+            stageName = 'Verify GPU'
+            stage(stageName) {
+                container('cuda') {
+                    sh 'nvidia-smi'
+                }
+            }
+
+            stageName = 'Code checkout'
+            stage(stageName) {
+                githubHelper.updateCommitStatus("$BUILD_URL", "$stageName Running", GitHubCommitState.PENDING)
+                if ("Open".equalsIgnoreCase(githubHelper.getPRState())) {
+                    println 'PR State is Open'
+                    checkout changelog: true, poll: true, scm: [$class: 'GitSCM', branches: [[name: 'pr/' + githubHelper.getPRNumber()]], doGenerateSubmoduleConfigurations: false,
+                        submoduleCfg: [],
+                        userRemoteConfigs: [[credentialsId: 'github-token', url: githubHelper.getCloneUrl(), refspec: '+refs/pull/*/head:refs/remotes/origin/pr/*']]]
+                } else if ("Merged".equalsIgnoreCase(githubHelper.getPRState())) {
+                    println 'PR State is Merged'
+                    checkout changelog: true, poll: true, scm: [$class: 'GitSCM', branches: [[name: githubHelper.getMergedSHA()]],
+                        doGenerateSubmoduleConfigurations: false,
+                        submoduleCfg: [],
+                        userRemoteConfigs: [[credentialsId: 'github-token', url: githubHelper.getCloneUrl(), refspec: '+refs/pull/*/merge:refs/remotes/origin/pr/*']]]
+                }
+            }
+
+            stageName = 'Build and Python tests'
+            stage(stageName) {
+                githubHelper.updateCommitStatus("$BUILD_URL", "$stageName Running", GitHubCommitState.PENDING)
+                container('cuda') {
+                    sh '''
+                        set -ex
+                        cd "${WORKSPACE}"
+                        export DEBIAN_FRONTEND=noninteractive
+                        apt-get update
+                        apt-get install -y --no-install-recommends \
+                            gcc-12 g++-12 build-essential git wget ca-certificates \
+                            libomp-15-dev
+                        bash admin/setup_conda_env.sh 3.12 2024.09.6
+                        . /usr/local/anaconda/etc/profile.d/conda.sh && conda activate base
+                        pip install --upgrade pip
+                        pip install torch --index-url https://download.pytorch.org/whl/cu126
+                        export CC="$(command -v gcc-12)"
+                        export CXX="$(command -v g++-12)"
+                        export CMAKE_BUILD_PARALLEL_LEVEL="${CMAKE_BUILD_PARALLEL_LEVEL:-$(nproc)}"
+                        export NVMOLKIT_CUDA_TARGET_MODE=native
+                        pip install -v .
+                        cd nvmolkit/tests
+                        pytest -v .
+                    '''
+                }
+                githubHelper.updateCommitStatus("$BUILD_URL", "$stageName Complete", GitHubCommitState.SUCCESS)
+            }
+
+            githubHelper.uploadLogs(this, env.JOB_NAME, env.BUILD_NUMBER, null, null)
+            githubHelper.updateCommitStatus("$BUILD_URL", 'Complete', GitHubCommitState.SUCCESS)
+        } catch (Exception ex) {
+            currentBuild.result = 'FAILURE'
+            println ex
+            githubHelper.uploadLogs(this, env.JOB_NAME, env.BUILD_NUMBER, null, null)
+            githubHelper.updateCommitStatus("$BUILD_URL", "$stageName Failed", GitHubCommitState.FAILURE)
+        }
+        }
+    }
+}

admin/setup_conda_env.sh

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+#!/bin/bash
+
+PYTHON_VERSION=$1
+RDKIT_VERSION=$2
+
+
+set -ex
+apt update &&  apt install -y wget git
+
+mkdir -p /var/tmp && wget -q -nc --no-check-certificate -P /var/tmp https://github.com/conda-forge/miniforge/releases/download/25.3.0-3/Miniforge3-25.3.0-3-Linux-x86_64.sh && \
+    bash /var/tmp/Miniforge3-25.3.0-3-Linux-x86_64.sh -b -p /usr/local/anaconda && \
+    /usr/local/anaconda/bin/conda init && \
+    ln -s /usr/local/anaconda/etc/profile.d/conda.sh /etc/profile.d/conda.sh && \
+    . /usr/local/anaconda/etc/profile.d/conda.sh && \
+    conda activate base && \
+    conda config --add channels conda-forge --add channels nvidia --add channels pytorch && \
+    conda install -q -y  python=$PYTHON_VERSION rdkit=$RDKIT_VERSION libboost-devel libboost-headers libboost-python-devel librdkit-dev pytest pandas psutil cmake cmakelang scikit-build=0.18 eigen