From 6050e1a5c9435d671a2d6cde244c0b69a39fd380 Mon Sep 17 00:00:00 2001
From: xraymemory <me.anzuoni@gmail.com>
Date: Tue, 2 Jun 2026 11:37:01 -0400
Subject: [PATCH 1/3] fix(docker): set sampleworks workspace home

---
 Dockerfile        | 11 ++++++++++-
 Dockerfile.astera |  2 ++
 2 files changed, 12 insertions(+), 1 deletion(-)

diff --git a/Dockerfile b/Dockerfile
index cacbd13b..7b92c37b 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -134,7 +134,16 @@ ENV BOLTZ1_CHECKPOINT=/checkpoints/boltz1_conf.ckpt \
     BOLTZ2_CHECKPOINT=/checkpoints/boltz2_conf.ckpt \
     CCD_PATH=/checkpoints/ccd.pkl \
     RF3_CHECKPOINT=/checkpoints/rf3_foundry_01_24_latest.ckpt \
-    PROTENIX_CHECKPOINT=/checkpoints/protenix_base_default_v0.5.0.pt
+    PROTENIX_CHECKPOINT=/checkpoints/protenix_base_default_v0.5.0.pt \
+    HOME=/home/dev \
+    XDG_CONFIG_HOME=/home/dev/.config \
+    XDG_CACHE_HOME=/home/dev/.cache \
+    XDG_DATA_HOME=/home/dev/.local/share \
+    SHELL=/bin/bash
+
+RUN mkdir -p /home/dev/.config /home/dev/.cache /home/dev/.local/share /home/dev/workspace
+
+WORKDIR /home/dev
 
 ENTRYPOINT ["entrypoint.sh"]
 CMD ["--help"]
diff --git a/Dockerfile.astera b/Dockerfile.astera
index c8e06c9b..84835e95 100644
--- a/Dockerfile.astera
+++ b/Dockerfile.astera
@@ -45,6 +45,8 @@ COPY --from=ext-cli /ext /usr/local/bin/ext
 
 RUN chmod 0755 /usr/local/bin/ext
 
+WORKDIR /home/dev
+
 # ACTL workspace pods intentionally keep the inherited root runtime user: the
 # prebuilt /app/.pixi environments and shared PVC workflows are currently
 # root-oriented, and switching USER here would break existing scientist runs.

From 08bad7476519f370b613f9705215bbee89ba1cd1 Mon Sep 17 00:00:00 2001
From: xraymemory <me.anzuoni@gmail.com>
Date: Tue, 2 Jun 2026 13:08:54 -0400
Subject: [PATCH 2/3] test(runs): isolate runner tests from ACTL workspace

---
 tests/runs/conftest.py | 18 ++++++++++++++++--
 1 file changed, 16 insertions(+), 2 deletions(-)

diff --git a/tests/runs/conftest.py b/tests/runs/conftest.py
index 70cc7919..c187c0f2 100644
--- a/tests/runs/conftest.py
+++ b/tests/runs/conftest.py
@@ -3,15 +3,29 @@
 from __future__ import annotations
 
 import os
+from pathlib import Path
 
 import pytest
+from sampleworks.runs import runner
 
 
 @pytest.fixture(autouse=True)
-def force_pixi_argv(monkeypatch: pytest.MonkeyPatch) -> None:
-    """Keep argv assertions deterministic on machines with /app/.pixi present."""
+def force_pixi_argv(monkeypatch: pytest.MonkeyPatch, tmp_path: Path) -> None:
+    """Keep argv assertions deterministic across dev and ACTL image environments."""
     monkeypatch.delenv("SAMPLEWORKS_GRID_SEARCH_SCRIPT", raising=False)
     monkeypatch.delenv("SAMPLEWORKS_PIXI_PROJECT_DIR", raising=False)
+    monkeypatch.setattr(
+        runner,
+        "WORKSPACE_GRID_SEARCH_SCRIPT",
+        str(tmp_path / "missing-workspace" / "run_grid_search.py"),
+    )
+    for var in (
+        "RUNTIME_PIXI",
+        "SAMPLEWORKS_ALLOW_RUNTIME_PIXI",
+        "SAMPLEWORKS_REQUIRE_PREBUILT_PIXI",
+        "SAMPLEWORKS_SKIP_ENV_PREPARE",
+    ):
+        monkeypatch.delenv(var, raising=False)
     for var in list(os.environ):
         if var.startswith("SAMPLEWORKS_") and var.endswith("_PYTHON"):
             monkeypatch.delenv(var, raising=False)

From 77ea7c766bde91773e6e98be56be07122721b284 Mon Sep 17 00:00:00 2001
From: xraymemory <me.anzuoni@gmail.com>
Date: Tue, 2 Jun 2026 13:22:43 -0400
Subject: [PATCH 3/3] fix(docker): install workspace bashrc snippet

---
 Dockerfile | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/Dockerfile b/Dockerfile
index 7b92c37b..86569ed7 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -123,7 +123,8 @@ RUN rm -rf /app/src /app/scripts /app/experiments /app/analyses \
     && mkdir -p /home/dev/workspace
 
 COPY --chmod=755 run_experiments run_experiments.sh run_all_models.sh run_analysis run_analysis.sh /usr/local/bin/
-RUN printf '\n# ACTL scientist workflow: land in the synced Sampleworks checkout.\nif [[ $- == *i* ]] && [ -z "${SAMPLEWORKS_NO_AUTO_CD:-}" ] && [ -d /home/dev/workspace ]; then\n    cd /home/dev/workspace\nfi\n' >> /root/.bashrc
+RUN printf '\n# ACTL scientist workflow: land in the synced Sampleworks checkout.\nif [[ $- == *i* ]] && [ -z "${SAMPLEWORKS_NO_AUTO_CD:-}" ] && [ -d /home/dev/workspace ]; then\n    cd /home/dev/workspace\nfi\n' \
+    | tee -a /root/.bashrc /home/dev/.bashrc >/dev/null
 
 # ============================================================================
 # Public runtime: regular Sampleworks image for the public registry