From 892c141fd99c6cb7e6c76e7ff3c3df6c74ac4161 Mon Sep 17 00:00:00 2001 From: James Gebbie-Rayet Date: Thu, 15 Oct 2026 09:45:24 +0100 Subject: [PATCH 1/2] Modify keywords in pyproject.toml Updated keywords to reflect new focus on HPC and job submission systems. --- pyproject.toml | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 25cae65..d77da38 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -30,7 +30,9 @@ classifiers = [ 'Operating System :: POSIX :: Linux', 'Operating System :: Unix' ] -keywords = ["aiida", "plugin", "gromacs", "aiida-gromacs"] +keywords = ["hpc", "hec", "supercomputer", "grid", "cloud", "batch" "jobs" "remote", + "submission", "submitter", "lsf", "pbs", "torque", "sge", "soge", + "slurm", "automated", "staging", "longbow", "hecbiosim", "ccpbiosim"] requires-python = ">=3.11" dependencies = [] From 5fa559b3d6deb9c091c3c681eacd6d8733995a90 Mon Sep 17 00:00:00 2001 From: James Gebbie-Rayet Date: Thu, 15 Oct 2026 09:47:30 +0100 Subject: [PATCH 2/2] Refactor keywords in pyproject.toml --- pyproject.toml | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index d77da38..a89ee2c 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -30,9 +30,8 @@ classifiers = [ 'Operating System :: POSIX :: Linux', 'Operating System :: Unix' ] -keywords = ["hpc", "hec", "supercomputer", "grid", "cloud", "batch" "jobs" "remote", - "submission", "submitter", "lsf", "pbs", "torque", "sge", "soge", - "slurm", "automated", "staging", "longbow", "hecbiosim", "ccpbiosim"] +keywords = ["hpc", "supercomputer", "batch jobs", "remote submission", "job submitter", + "lsf", "pbs", "torque", "sge", "soge", "slurm", "hecbiosim", "ccpbiosim"] requires-python = ">=3.11" dependencies = []