From 5f90668f6c542d91ff36de3d9eaee8e059c0a0c4 Mon Sep 17 00:00:00 2001 From: Prashanth Kanduri Date: Mon, 25 Nov 2024 01:56:01 +0100 Subject: [PATCH 1/4] add reframe config --- recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml | 9 +++++++++ 1 file changed, 9 insertions(+) create mode 100644 recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml diff --git a/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml b/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml new file mode 100644 index 00000000..e0be7abe --- /dev/null +++ b/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml @@ -0,0 +1,9 @@ +develop: + features: + - gromacs + - cuda + - mpi + cc: gcc + cxx: g++ + views: + - develop \ No newline at end of file From c2a3534d8d89c790dda0094452345fe9ad8c9166 Mon Sep 17 00:00:00 2001 From: Prashanth Kanduri Date: Mon, 25 Nov 2024 02:05:48 +0100 Subject: [PATCH 2/4] correct view name --- recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml b/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml index e0be7abe..01ba0f28 100644 --- a/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml +++ b/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml @@ -1,4 +1,4 @@ -develop: +run: features: - gromacs - cuda @@ -6,4 +6,4 @@ develop: cc: gcc cxx: g++ views: - - develop \ No newline at end of file + - gromacs \ No newline at end of file From 53f886b5c3388b6e40b6e55aba49530f373c1aaa Mon Sep 17 00:00:00 2001 From: Prashanth Kanduri Date: Tue, 26 Nov 2024 21:07:10 +0100 Subject: [PATCH 3/4] add build config to reframe --- recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml | 12 +++++++++++- 1 file changed, 11 insertions(+), 1 deletion(-) diff --git a/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml b/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml index 01ba0f28..ff4fb89d 100644 --- a/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml +++ b/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml @@ -6,4 +6,14 @@ run: cc: gcc cxx: g++ views: - - gromacs \ No newline at end of file + - gromacs + +build: + features: + - gromacs + - cuda + - mpi + cc: gcc + cxx: g++ + views: + - develop \ No newline at end of file From 987da64632bc60332d6a950a685421e36af639cb Mon Sep 17 00:00:00 2001 From: Prashanth Kanduri Date: Mon, 20 Jan 2025 18:17:49 +0100 Subject: [PATCH 4/4] add new feature reference for build tests --- recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml b/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml index ff4fb89d..f6224e3d 100644 --- a/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml +++ b/recipes/gromacs/2024/gh200-mpi/extra/reframe.yaml @@ -10,7 +10,7 @@ run: build: features: - - gromacs + - gromacs-dev - cuda - mpi cc: gcc