From 0fdffbb7dd76313693acf6a0eb8a0b5b1fcf6f2d Mon Sep 17 00:00:00 2001 From: lumaghg Date: Tue, 27 Jun 2023 20:46:33 +0200 Subject: [PATCH 01/13] add pipeline to push to s3 --- .github/workflows/push-datasets.yaml | 24 ++++++++++++++++++++++++ 1 file changed, 24 insertions(+) create mode 100644 .github/workflows/push-datasets.yaml diff --git a/.github/workflows/push-datasets.yaml b/.github/workflows/push-datasets.yaml new file mode 100644 index 0000000..ba9488b --- /dev/null +++ b/.github/workflows/push-datasets.yaml @@ -0,0 +1,24 @@ +name: push-datasets +on: push + +jobs: + push-dataset: + runs-on: ubuntu-latest + steps: + - name: Upload materials.json to s3 + uses: shallwefootball/s3-upload-action@master + id: S3 + with: + aws_key_id: ${{secrets.AWS_KEY_ID}} + aws_secret_access_key: ${{secrets.AWS_SECRET_ACCESS_KEY}} + aws_bucket: chemmatdata + source_dir: materials.json + + - name: Upload molecules.json to s3 + uses: shallwefootball/s3-upload-action@master + id: S3 + with: + aws_key_id: ${{secrets.AWS_KEY_ID}} + aws_secret_access_key: ${{secrets.AWS_SECRET_ACCESS_KEY}} + aws_bucket: chemmatdata + source_dir: molecules.json \ No newline at end of file From 401fd65a53d6bbd07c3e693f15817a8b3c984ee2 Mon Sep 17 00:00:00 2001 From: lumaghg Date: Tue, 27 Jun 2023 20:47:51 +0200 Subject: [PATCH 02/13] fix invalid workflow file --- .github/workflows/push-datasets.yaml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/push-datasets.yaml b/.github/workflows/push-datasets.yaml index ba9488b..00db26d 100644 --- a/.github/workflows/push-datasets.yaml +++ b/.github/workflows/push-datasets.yaml @@ -7,7 +7,7 @@ jobs: steps: - name: Upload materials.json to s3 uses: shallwefootball/s3-upload-action@master - id: S3 + id: S3-materials with: aws_key_id: ${{secrets.AWS_KEY_ID}} aws_secret_access_key: ${{secrets.AWS_SECRET_ACCESS_KEY}} @@ -16,7 +16,7 @@ jobs: - name: Upload molecules.json to s3 uses: shallwefootball/s3-upload-action@master - id: S3 + id: S3-molecules with: aws_key_id: ${{secrets.AWS_KEY_ID}} aws_secret_access_key: ${{secrets.AWS_SECRET_ACCESS_KEY}} From 429ae6e80ddbe789a5666105ea8c106856b5d9d3 Mon Sep 17 00:00:00 2001 From: lumaghg Date: Tue, 27 Jun 2023 20:49:07 +0200 Subject: [PATCH 03/13] add repo checkout --- .github/workflows/push-datasets.yaml | 2 ++ 1 file changed, 2 insertions(+) diff --git a/.github/workflows/push-datasets.yaml b/.github/workflows/push-datasets.yaml index 00db26d..9ee86df 100644 --- a/.github/workflows/push-datasets.yaml +++ b/.github/workflows/push-datasets.yaml @@ -5,6 +5,8 @@ jobs: push-dataset: runs-on: ubuntu-latest steps: + - name: checkout repository + uses: actions/checkout@v3 - name: Upload materials.json to s3 uses: shallwefootball/s3-upload-action@master id: S3-materials From 3e98cc4c7925fcb07124e2ee7494b27abc2a5bf4 Mon Sep 17 00:00:00 2001 From: lumaghg Date: Tue, 27 Jun 2023 20:50:58 +0200 Subject: [PATCH 04/13] try to fix pipeline --- .github/workflows/push-datasets.yaml | 15 +++------------ materials.json => datasets/materials.json | 0 molecules.json => datasets/molecules.json | 0 3 files changed, 3 insertions(+), 12 deletions(-) rename materials.json => datasets/materials.json (100%) rename molecules.json => datasets/molecules.json (100%) diff --git a/.github/workflows/push-datasets.yaml b/.github/workflows/push-datasets.yaml index 9ee86df..a78d0ee 100644 --- a/.github/workflows/push-datasets.yaml +++ b/.github/workflows/push-datasets.yaml @@ -7,20 +7,11 @@ jobs: steps: - name: checkout repository uses: actions/checkout@v3 - - name: Upload materials.json to s3 + - name: Upload datasets to s3 uses: shallwefootball/s3-upload-action@master - id: S3-materials + id: S3 with: aws_key_id: ${{secrets.AWS_KEY_ID}} aws_secret_access_key: ${{secrets.AWS_SECRET_ACCESS_KEY}} aws_bucket: chemmatdata - source_dir: materials.json - - - name: Upload molecules.json to s3 - uses: shallwefootball/s3-upload-action@master - id: S3-molecules - with: - aws_key_id: ${{secrets.AWS_KEY_ID}} - aws_secret_access_key: ${{secrets.AWS_SECRET_ACCESS_KEY}} - aws_bucket: chemmatdata - source_dir: molecules.json \ No newline at end of file + source_dir: datasets \ No newline at end of file diff --git a/materials.json b/datasets/materials.json similarity index 100% rename from materials.json rename to datasets/materials.json diff --git a/molecules.json b/datasets/molecules.json similarity index 100% rename from molecules.json rename to datasets/molecules.json From a4d9bf97f079ec6b30c79d608dedcbfe4728f060 Mon Sep 17 00:00:00 2001 From: lumaghg Date: Tue, 27 Jun 2023 20:57:00 +0200 Subject: [PATCH 05/13] try to fix pipeline --- .github/workflows/push-datasets.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/push-datasets.yaml b/.github/workflows/push-datasets.yaml index a78d0ee..1722dfc 100644 --- a/.github/workflows/push-datasets.yaml +++ b/.github/workflows/push-datasets.yaml @@ -9,7 +9,7 @@ jobs: uses: actions/checkout@v3 - name: Upload datasets to s3 uses: shallwefootball/s3-upload-action@master - id: S3 + id: S3 with: aws_key_id: ${{secrets.AWS_KEY_ID}} aws_secret_access_key: ${{secrets.AWS_SECRET_ACCESS_KEY}} From 63bfc844791c153aa2ef8199c85b13534074aba2 Mon Sep 17 00:00:00 2001 From: lumaghg Date: Tue, 27 Jun 2023 21:02:23 +0200 Subject: [PATCH 06/13] try to fix pipeline --- .github/workflows/push-datasets.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/push-datasets.yaml b/.github/workflows/push-datasets.yaml index 1722dfc..a78d0ee 100644 --- a/.github/workflows/push-datasets.yaml +++ b/.github/workflows/push-datasets.yaml @@ -9,7 +9,7 @@ jobs: uses: actions/checkout@v3 - name: Upload datasets to s3 uses: shallwefootball/s3-upload-action@master - id: S3 + id: S3 with: aws_key_id: ${{secrets.AWS_KEY_ID}} aws_secret_access_key: ${{secrets.AWS_SECRET_ACCESS_KEY}} From 1d72790735d795b8ab06f52546d83b06071ab6fa Mon Sep 17 00:00:00 2001 From: lumaghg Date: Tue, 27 Jun 2023 21:10:17 +0200 Subject: [PATCH 07/13] try to fix pipeline --- .github/workflows/push-datasets.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/push-datasets.yaml b/.github/workflows/push-datasets.yaml index a78d0ee..b08ebba 100644 --- a/.github/workflows/push-datasets.yaml +++ b/.github/workflows/push-datasets.yaml @@ -14,4 +14,4 @@ jobs: aws_key_id: ${{secrets.AWS_KEY_ID}} aws_secret_access_key: ${{secrets.AWS_SECRET_ACCESS_KEY}} aws_bucket: chemmatdata - source_dir: datasets \ No newline at end of file + source_dir: datasets \ No newline at end of file From 6458849ab6ba593453351d62902a3c0fbf268367 Mon Sep 17 00:00:00 2001 From: lumaghg Date: Tue, 27 Jun 2023 21:18:54 +0200 Subject: [PATCH 08/13] try to fix pipeline --- .github/workflows/push-datasets.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/push-datasets.yaml b/.github/workflows/push-datasets.yaml index b08ebba..a78d0ee 100644 --- a/.github/workflows/push-datasets.yaml +++ b/.github/workflows/push-datasets.yaml @@ -14,4 +14,4 @@ jobs: aws_key_id: ${{secrets.AWS_KEY_ID}} aws_secret_access_key: ${{secrets.AWS_SECRET_ACCESS_KEY}} aws_bucket: chemmatdata - source_dir: datasets \ No newline at end of file + source_dir: datasets \ No newline at end of file From d7252735c27704a4af9df8455cc0a5f65cd76b64 Mon Sep 17 00:00:00 2001 From: lumaghg Date: Tue, 27 Jun 2023 21:22:25 +0200 Subject: [PATCH 09/13] try to fix pipeline --- .github/workflows/push-datasets.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/push-datasets.yaml b/.github/workflows/push-datasets.yaml index a78d0ee..b08ebba 100644 --- a/.github/workflows/push-datasets.yaml +++ b/.github/workflows/push-datasets.yaml @@ -14,4 +14,4 @@ jobs: aws_key_id: ${{secrets.AWS_KEY_ID}} aws_secret_access_key: ${{secrets.AWS_SECRET_ACCESS_KEY}} aws_bucket: chemmatdata - source_dir: datasets \ No newline at end of file + source_dir: datasets \ No newline at end of file From 31db0558bae647a2bfab3dfde8859ddbd27bd917 Mon Sep 17 00:00:00 2001 From: lumaghg Date: Tue, 27 Jun 2023 21:25:51 +0200 Subject: [PATCH 10/13] add destination directory --- .github/workflows/push-datasets.yaml | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/.github/workflows/push-datasets.yaml b/.github/workflows/push-datasets.yaml index b08ebba..1c161f4 100644 --- a/.github/workflows/push-datasets.yaml +++ b/.github/workflows/push-datasets.yaml @@ -14,4 +14,5 @@ jobs: aws_key_id: ${{secrets.AWS_KEY_ID}} aws_secret_access_key: ${{secrets.AWS_SECRET_ACCESS_KEY}} aws_bucket: chemmatdata - source_dir: datasets \ No newline at end of file + source_dir: datasets + destination_dir: datasets \ No newline at end of file From 03619792ae2ab0d4c94225347312842e23f4a1b6 Mon Sep 17 00:00:00 2001 From: lumaghg Date: Tue, 27 Jun 2023 21:29:07 +0200 Subject: [PATCH 11/13] add destination directory --- .github/workflows/push-datasets.yaml | 2 +- datasets/materials.json | 3 +++ 2 files changed, 4 insertions(+), 1 deletion(-) diff --git a/.github/workflows/push-datasets.yaml b/.github/workflows/push-datasets.yaml index 1c161f4..b3fae97 100644 --- a/.github/workflows/push-datasets.yaml +++ b/.github/workflows/push-datasets.yaml @@ -15,4 +15,4 @@ jobs: aws_secret_access_key: ${{secrets.AWS_SECRET_ACCESS_KEY}} aws_bucket: chemmatdata source_dir: datasets - destination_dir: datasets \ No newline at end of file + destination_dir: datasets \ No newline at end of file diff --git a/datasets/materials.json b/datasets/materials.json index e69de29..20b3134 100644 --- a/datasets/materials.json +++ b/datasets/materials.json @@ -0,0 +1,3 @@ +{ + "1234": "wdwd" +} \ No newline at end of file From 2a66faec6b15ad957e7ce4a4cbe450d780153f1f Mon Sep 17 00:00:00 2001 From: lumaghg Date: Tue, 27 Jun 2023 21:30:02 +0200 Subject: [PATCH 12/13] remove test contents from materials.json --- datasets/materials.json | 3 --- 1 file changed, 3 deletions(-) diff --git a/datasets/materials.json b/datasets/materials.json index 20b3134..e69de29 100644 --- a/datasets/materials.json +++ b/datasets/materials.json @@ -1,3 +0,0 @@ -{ - "1234": "wdwd" -} \ No newline at end of file From 0e75a34ecb8f6004fac3e301f351d7e145ec4798 Mon Sep 17 00:00:00 2001 From: lumaghg Date: Tue, 27 Jun 2023 21:57:08 +0200 Subject: [PATCH 13/13] only run pipeline on push to main --- .github/workflows/push-datasets.yaml | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/.github/workflows/push-datasets.yaml b/.github/workflows/push-datasets.yaml index b3fae97..81e51fe 100644 --- a/.github/workflows/push-datasets.yaml +++ b/.github/workflows/push-datasets.yaml @@ -1,5 +1,8 @@ name: push-datasets -on: push +on: + push: + branches: + - main jobs: push-dataset: