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"reaction_energy_profile", "potential_profile", "charge_density_profile", + "hubbard_parameters", ]; diff --git a/src/js/data/tree.js b/src/js/data/tree.js index eb52984e..7fc5840a 100644 --- a/src/js/data/tree.js +++ b/src/js/data/tree.js @@ -1,2 +1,2 @@ /* eslint-disable */ -module.exports = {applicationTree: 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From 05b03e9a2fc95c4bd113e3955eb30544ae39520e Mon Sep 17 00:00:00 2001 From: Kevin Chu Date: Tue, 7 Nov 2023 16:05:45 -0600 Subject: [PATCH 2/6] chore: make default espresso 6.3 --- applications/espresso.yml | 2 +- src/js/data/application_data.js | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/applications/espresso.yml b/applications/espresso.yml index ee27c712..61681a1f 100644 --- a/applications/espresso.yml +++ b/applications/espresso.yml @@ -1,7 +1,7 @@ name: espresso shortName: qe summary: Quantum Espresso -defaultVersion: '5.4.0' +defaultVersion: '6.3' versions: #### version 5.2.1 #### - version: '5.2.1' diff --git a/src/js/data/application_data.js b/src/js/data/application_data.js index 84c93a08..e41042a0 100644 --- a/src/js/data/application_data.js +++ b/src/js/data/application_data.js @@ -1,2 +1,2 @@ /* eslint-disable */ -module.exports = {applicationData: {"espresso":{"name":"espresso","shortName":"qe","summary":"Quantum 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8c77984e66026274333fae3bc47cb86acef18d6c Mon Sep 17 00:00:00 2001 From: Kevin Chu Date: Tue, 21 Nov 2023 15:56:47 -0600 Subject: [PATCH 4/6] ci: fix commented out 'needs' step --- .github/workflows/cicd.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/cicd.yml b/.github/workflows/cicd.yml index 75c3a15d..bdf4dc7c 100644 --- a/.github/workflows/cicd.yml +++ b/.github/workflows/cicd.yml @@ -83,7 +83,7 @@ jobs: node-version: ${{ matrix.node-version }} publish-js-package: - needs: [run-py-tests, run-js-tests] + needs: [run-js-tests] runs-on: ubuntu-latest if: github.ref_name == 'dev' From 3c1c369e7146c42596ec0ea037062776cbdc4c9c Mon Sep 17 00:00:00 2001 From: Pranab Das <31024886+pranabdas@users.noreply.github.com> Date: Thu, 23 Nov 2023 23:02:23 +0800 Subject: [PATCH 5/6] SOF-6892: rename hubbard_parameters to hubbard_u Note: we are going to have separate properties/parsers for Hubbard U and V --- executables/espresso/hp.x.yml | 4 ++-- src/js/allowed_results.js | 2 +- src/js/data/tree.js | 2 +- 3 files changed, 4 insertions(+), 4 deletions(-) diff --git a/executables/espresso/hp.x.yml b/executables/espresso/hp.x.yml index e3df4a2f..8aebc1a4 100644 --- a/executables/espresso/hp.x.yml +++ b/executables/espresso/hp.x.yml @@ -1,13 +1,13 @@ monitors: - standard_output results: - - hubbard_parameters + - hubbard_u flavors: hp: input: - name: hp.in results: - - hubbard_parameters + - hubbard_u monitors: - standard_output applicationName: espresso diff --git a/src/js/allowed_results.js b/src/js/allowed_results.js index 55839ba7..b0aef18e 100644 --- a/src/js/allowed_results.js +++ b/src/js/allowed_results.js @@ -18,5 +18,5 @@ export default [ "reaction_energy_profile", "potential_profile", "charge_density_profile", - "hubbard_parameters", + "hubbard_u", ]; diff --git a/src/js/data/tree.js b/src/js/data/tree.js index 7fc5840a..a78d291d 100644 --- a/src/js/data/tree.js +++ b/src/js/data/tree.js @@ -1,2 +1,2 @@ /* eslint-disable 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From 472c0f601d34a50adf83865fa4e0510f85bd6f67 Mon Sep 17 00:00:00 2001 From: Pranab Das <31024886+pranabdas@users.noreply.github.com> Date: Thu, 23 Nov 2023 23:04:27 +0800 Subject: [PATCH 6/6] bump github actions/checkout to v4 --- .github/workflows/cicd.yml | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/.github/workflows/cicd.yml b/.github/workflows/cicd.yml index 66cfa19c..d767d926 100644 --- a/.github/workflows/cicd.yml +++ b/.github/workflows/cicd.yml @@ -12,12 +12,12 @@ jobs: steps: - name: Checkout this repository - uses: actions/checkout@v2 + uses: actions/checkout@v4 with: lfs: true - name: Checkout actions repository - uses: actions/checkout@v2 + uses: actions/checkout@v4 with: repository: Exabyte-io/actions token: ${{ secrets.BOT_GITHUB_TOKEN }} @@ -38,12 +38,12 @@ jobs: # # steps: # - name: Checkout this repository -# uses: actions/checkout@v2 +# uses: actions/checkout@v4 # with: # lfs: true # # - name: Checkout actions repository -# uses: actions/checkout@v2 +# uses: actions/checkout@v4 # with: # repository: Exabyte-io/actions # token: ${{ secrets.BOT_GITHUB_TOKEN }} @@ -66,12 +66,12 @@ jobs: steps: - name: Checkout this repository - uses: actions/checkout@v2 + uses: actions/checkout@v4 with: lfs: true - name: Checkout actions repository - uses: actions/checkout@v2 + uses: actions/checkout@v4 with: repository: Exabyte-io/actions token: ${{ secrets.BOT_GITHUB_TOKEN }} @@ -91,12 +91,12 @@ jobs: steps: - name: Checkout this repository - uses: actions/checkout@v2 + uses: actions/checkout@v4 with: lfs: true - name: Checkout actions repository - uses: actions/checkout@v2 + uses: actions/checkout@v4 with: repository: Exabyte-io/actions token: ${{ secrets.BOT_GITHUB_TOKEN }}